N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-phenoxyphenyl)quinazolin-4-amine;N-(5-ethyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinazolin-4-amine

C94H76N26OS — CID 158868782

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-phenoxyphenyl)quinazolin-4-amine;N-(5-ethyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinazolin-4-amine
SMILESCCc1cc(Nc2nc(-c3ccccc3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3ccsc3)nc3ccccc23)n[nH]1.c1ccc(-c2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1.c1ccc(Oc2cccc(-c3nc(Nc4cc(C5CC5)[nH]n4)c4ccccc4n3)c2)cc1.c1ccc2c(Nc3ccn[nH]3)nc(-c3ccncc3)nc2c1
InChIInChI=1S/C26H21N5O.C19H17N5.C17H13N5.C16H12N6.C16H13N5S/c1-2-8-19(9-3-1)32-20-10-6-7-18(15-20)25-27-22-12-5-4-11-21(22)26(29-25)28-24-16-23(30-31-24)17-13-14-17;1-2-14-12-17(24-23-14)21-19-15-10-6-7-11-16(15)20-18(22-19)13-8-4-3-5-9-13;1-2-6-12(7-3-1)16-19-14-9-5-4-8-13(14)17(21-16)20-15-10-11-18-22-15;1-2-4-13-12(3-1)16(20-14-7-10-18-22-14)21-15(19-13)11-5-8-17-9-6-11;1-10-8-14(21-20-10)18-16-12-4-2-3-5-13(12)17-15(19-16)11-6-7-22-9-11/h1-12,15-17H,13-14H2,(H2,27,28,29,30,31);3-12H,2H2,1H3,(H2,20,21,22,23,24);1-11H,(H2,18,19,20,21,22);1-10H,(H2,18,19,20,21,22);2-9H,1H3,(H2,17,18,19,20,21)
InChIKeyJBORJSXQNLYAEN-UHFFFAOYSA-N
MW1617.89 g/mol
LogP21.81
Rot. Bonds19

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-phenoxyphenyl)quinazolin-4-amine;N-(5-ethyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinazolin-4-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-phenoxyphenyl)quinazolin-4-amine;N-(5-ethyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 158868782) has the molecular formula C94H76N26OS and a molecular weight of 1617.89 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-phenoxyphenyl)quinazolin-4-amine;N-(5-ethyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-phenoxyphenyl)quinazolin-4-amine;N-(5-ethyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinazolin-4-amine
PubChem CID158868782
Molecular FormulaC94H76N26OS
Molecular Weight1617.89 g/mol
Exact Mass1616.64
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-phenoxyphenyl)quinazolin-4-amine;N-(5-ethyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinazolin-4-amine
SMILESCCc1cc(Nc2nc(-c3ccccc3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3ccsc3)nc3ccccc23)n[nH]1.c1ccc(-c2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1.c1ccc(Oc2cccc(-c3nc(Nc4cc(C5CC5)[nH]n4)c4ccccc4n3)c2)cc1.c1ccc2c(Nc3ccn[nH]3)nc(-c3ccncc3)nc2c1
InChIInChI=1S/C26H21N5O.C19H17N5.C17H13N5.C16H12N6.C16H13N5S/c1-2-8-19(9-3-1)32-20-10-6-7-18(15-20)25-27-22-12-5-4-11-21(22)26(29-25)28-24-16-23(30-31-24)17-13-14-17;1-2-14-12-17(24-23-14)21-19-15-10-6-7-11-16(15)20-18(22-19)13-8-4-3-5-9-13;1-2-6-12(7-3-1)16-19-14-9-5-4-8-13(14)17(21-16)20-15-10-11-18-22-15;1-2-4-13-12(3-1)16(20-14-7-10-18-22-14)21-15(19-13)11-5-8-17-9-6-11;1-10-8-14(21-20-10)18-16-12-4-2-3-5-13(12)17-15(19-16)11-6-7-22-9-11/h1-12,15-17H,13-14H2,(H2,27,28,29,30,31);3-12H,2H2,1H3,(H2,20,21,22,23,24);1-11H,(H2,18,19,20,21,22);1-10H,(H2,18,19,20,21,22);2-9H,1H3,(H2,17,18,19,20,21)
InChIKeyJBORJSXQNLYAEN-UHFFFAOYSA-N
XLogP21.81
TPSA354.57 Ų
H-Bond Donors10
H-Bond Acceptors23
Rotatable Bonds19
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001617.89
LogP ≤ 521.81
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1023

Analyze N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-phenoxyphenyl)quinazolin-4-amine;N-(5-ethyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinazolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[3-cyclopropyl-1-methyl-2-(trifluoromethyl)tetrazole-1,3-diium-5-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 160198471
2-N-[3-cyclopropyl-1-methyl-2-(trifluoromethyl)tetrazole-1,3-diium-5-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyridin-3-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 161047596
6-methoxy-2-pyridin-3-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 71273671
3-[5-(aminomethyl)thiophen-2-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-1H-indol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157148385
2-N-[1-(4-fluoro-2-methylphenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
CID 157475330
2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[2-(3-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-pyridin-4-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 157553843
N-(2-methoxy-5-phenylphenyl)-3-(1-methylpyrazol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-5-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-thiophen-2-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 158003373
3-(1-Benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 158157349
4-[2-(3-cyclopropyl-1H-pyrazol-5-yl)ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(5-methoxy-3H-indol-2-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]pyrimidin-2-amine
CID 158229534
2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine
CID 158310077
6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
CID 158415274
4-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[3-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;5-(3-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(3-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine
CID 158520866

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-phenoxyphenyl)quinazolin-4-amine;N-(5-ethyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-phenoxyphenyl)quinazolin-4-amine;N-(5-ethyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinazolin-4-amine (CID 158868782) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-phenoxyphenyl)quinazolin-4-amine;N-(5-ethyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-phenoxyphenyl)quinazolin-4-amine;N-(5-ethyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-phenoxyphenyl)quinazolin-4-amine;N-(5-ethyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinazolin-4-amine is CCc1cc(Nc2nc(-c3ccccc3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3ccsc3)nc3ccccc23)n[nH]1.c1ccc(-c2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1.c1ccc(Oc2cccc(-c3nc(Nc4cc(C5CC5)[nH]n4)c4ccccc4n3)c2)cc1.c1ccc2c(Nc3ccn[nH]3)nc(-c3ccncc3)nc2c1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-phenoxyphenyl)quinazolin-4-amine;N-(5-ethyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is JBORJSXQNLYAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O.C19H17N5.C17H13N5.C16H12N6.C16H13N5S/c1-2-8-19(9-3-1)32-20-10-6-7-18(15-20)25-27-22-12-5-4-11-21(22)26(29-25)28-24-16-23(30-31-24)17-13-14-17;1-2-14-12-17(24-23-14)21-19-15-10-6-7-11-16(15)20-18(22-19)13-8-4-3-5-9-13;1-2-6-12(7-3-1)16-19-14-9-5-4-8-13(14)17(21-16)20-15-10-11-18-22-15;1-2-4-13-12(3-1)16(20-14-7-10-18-22-14)21-15(19-13)11-5-8-17-9-6-11;1-10-8-14(21-20-10)18-16-12-4-2-3-5-13(12)17-15(19-16)11-6-7-22-9-11/h1-12,15-17H,13-14H2,(H2,27,28,29,30,31);3-12H,2H2,1H3,(H2,20,21,22,23,24);1-11H,(H2,18,19,20,21,22);1-10H,(H2,18,19,20,21,22);2-9H,1H3,(H2,17,18,19,20,21).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-phenoxyphenyl)quinazolin-4-amine;N-(5-ethyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinazolin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-phenoxyphenyl)quinazolin-4-amine;N-(5-ethyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinazolin-4-amine has a molecular weight of 1617.89 g/mol, XLogP of 21.81, 19 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-phenoxyphenyl)quinazolin-4-amine;N-(5-ethyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine;2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine;N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 158868782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).