N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-(3-phenylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine

C63H52N22 — CID 90972489

IUPACN-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-(3-phenylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine
SMILESCc1cc(Nc2ncnc3ccccc23)n[nH]1.c1ccc(-c2cccc(Nc3nc(Nc4ccn[nH]4)c4ccccc4n3)c2)cc1.c1ccc(Nc2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1.c1ccc2c(Nc3ccn[nH]3)ncnc2c1
InChIInChI=1S/C23H18N6.C17H14N6.C12H11N5.C11H9N5/c1-2-7-16(8-3-1)17-9-6-10-18(15-17)25-23-26-20-12-5-4-11-19(20)22(28-23)27-21-13-14-24-29-21;1-2-6-12(7-3-1)19-17-20-14-9-5-4-8-13(14)16(22-17)21-15-10-11-18-23-15;1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12;1-2-4-9-8(3-1)11(13-7-12-9)15-10-5-6-14-16-10/h1-15H,(H3,24,25,26,27,28,29);1-11H,(H3,18,19,20,21,22,23);2-7H,1H3,(H2,13,14,15,16,17);1-7H,(H2,12,13,14,15,16)
InChIKeyREFKRJIMHUHCQK-UHFFFAOYSA-N
MW1117.26 g/mol
LogP13.85
Rot. Bonds13

About N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-(3-phenylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine

N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-(3-phenylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine (PubChem CID 90972489) has the molecular formula C63H52N22 and a molecular weight of 1117.26 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-(3-phenylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-(3-phenylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine
PubChem CID90972489
Molecular FormulaC63H52N22
Molecular Weight1117.26 g/mol
Exact Mass1116.47
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-(3-phenylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine
SMILESCc1cc(Nc2ncnc3ccccc23)n[nH]1.c1ccc(-c2cccc(Nc3nc(Nc4ccn[nH]4)c4ccccc4n3)c2)cc1.c1ccc(Nc2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1.c1ccc2c(Nc3ccn[nH]3)ncnc2c1
InChIInChI=1S/C23H18N6.C17H14N6.C12H11N5.C11H9N5/c1-2-7-16(8-3-1)17-9-6-10-18(15-17)25-23-26-20-12-5-4-11-19(20)22(28-23)27-21-13-14-24-29-21;1-2-6-12(7-3-1)19-17-20-14-9-5-4-8-13(14)16(22-17)21-15-10-11-18-23-15;1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12;1-2-4-9-8(3-1)11(13-7-12-9)15-10-5-6-14-16-10/h1-15H,(H3,24,25,26,27,28,29);1-11H,(H3,18,19,20,21,22,23);2-7H,1H3,(H2,13,14,15,16,17);1-7H,(H2,12,13,14,15,16)
InChIKeyREFKRJIMHUHCQK-UHFFFAOYSA-N
XLogP13.85
TPSA290.02 Ų
H-Bond Donors10
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms85
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001117.26
LogP ≤ 513.85
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1018

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Related Compounds

7-(2,6-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44187005
3-(1h-Indazol-4-yl)-7-(2-methyl-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836427
7-(2-Fluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836539
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)naphthalen-1-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836649
7-(2,3-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836748
7-(2,5-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836749
3-(1H-indazol-4-yl)-2-(pyridin-4-yl)-7-(2,3,5,6-tetrafluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)pyrazolo[1,5-a]pyrimidine
CID 49836854
3-(7-fluoro-1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836857
3-(7-fluoro-1H-indazol-4-yl)-7-[2-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836964
3-(7-fluoro-1H-indazol-4-yl)-7-[2-fluoro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836965
7-(2,6-Difluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(7-fluoro-1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836966
(1S,4S)-2-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane
CID 49836968

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-(3-phenylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-(3-phenylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine (CID 90972489) is N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-(3-phenylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-(3-phenylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-(3-phenylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine is Cc1cc(Nc2ncnc3ccccc23)n[nH]1.c1ccc(-c2cccc(Nc3nc(Nc4ccn[nH]4)c4ccccc4n3)c2)cc1.c1ccc(Nc2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1.c1ccc2c(Nc3ccn[nH]3)ncnc2c1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-(3-phenylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine?
The InChIKey is REFKRJIMHUHCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6.C17H14N6.C12H11N5.C11H9N5/c1-2-7-16(8-3-1)17-9-6-10-18(15-17)25-23-26-20-12-5-4-11-19(20)22(28-23)27-21-13-14-24-29-21;1-2-6-12(7-3-1)19-17-20-14-9-5-4-8-13(14)16(22-17)21-15-10-11-18-23-15;1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12;1-2-4-9-8(3-1)11(13-7-12-9)15-10-5-6-14-16-10/h1-15H,(H3,24,25,26,27,28,29);1-11H,(H3,18,19,20,21,22,23);2-7H,1H3,(H2,13,14,15,16,17);1-7H,(H2,12,13,14,15,16).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-(3-phenylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine?
N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-(3-phenylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine has a molecular weight of 1117.26 g/mol, XLogP of 13.85, 13 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-(3-phenylphenyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 90972489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).