2-(2-tert-butylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-tert-butylphenyl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol;2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]phenol

C92H73F3N20O2 — CID 161054283

IUPAC2-(2-tert-butylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-tert-butylphenyl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol;2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]phenol
SMILESCC(C)(C)c1ccccc1-c1nc(Nc2n[nH]c3ccc(F)cc23)c2ccccc2n1.CC(C)(C)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)c2ccccc2n1.Oc1ccccc1-c1nc(Nc2n[nH]c3c(F)cc(F)cc23)c2ccccc2n1.Oc1ccccc1-c1nc(Nc2n[nH]c3ccccc23)c2ccccc2n1
InChIInChI=1S/C25H22FN5.C25H23N5.C21H13F2N5O.C21H15N5O/c1-25(2,3)19-10-6-4-8-16(19)22-27-20-11-7-5-9-17(20)23(28-22)29-24-18-14-15(26)12-13-21(18)30-31-24;1-25(2,3)19-13-7-4-10-16(19)22-26-20-14-8-5-11-17(20)23(27-22)28-24-18-12-6-9-15-21(18)29-30-24;22-11-9-14-18(15(23)10-11)27-28-21(14)26-19-12-5-1-3-7-16(12)24-20(25-19)13-6-2-4-8-17(13)29;27-18-12-6-3-9-15(18)20-22-16-10-4-1-7-13(16)19(23-20)24-21-14-8-2-5-11-17(14)25-26-21/h4-14H,1-3H3,(H2,27,28,29,30,31);4-15H,1-3H3,(H2,26,27,28,29,30);1-10,29H,(H2,24,25,26,27,28);1-12,27H,(H2,22,23,24,25,26)
InChIKeyUCNOJJOXMDURPY-UHFFFAOYSA-N
MW1547.73 g/mol
LogP22.09
Rot. Bonds12

About 2-(2-tert-butylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-tert-butylphenyl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol;2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]phenol

2-(2-tert-butylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-tert-butylphenyl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol;2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]phenol (PubChem CID 161054283) has the molecular formula C92H73F3N20O2 and a molecular weight of 1547.73 g/mol. Its IUPAC name is 2-(2-tert-butylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-tert-butylphenyl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol;2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-(2-tert-butylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-tert-butylphenyl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol;2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]phenol
PubChem CID161054283
Molecular FormulaC92H73F3N20O2
Molecular Weight1547.73 g/mol
Exact Mass1546.62
IUPAC Name2-(2-tert-butylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-tert-butylphenyl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol;2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]phenol
SMILESCC(C)(C)c1ccccc1-c1nc(Nc2n[nH]c3ccc(F)cc23)c2ccccc2n1.CC(C)(C)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)c2ccccc2n1.Oc1ccccc1-c1nc(Nc2n[nH]c3c(F)cc(F)cc23)c2ccccc2n1.Oc1ccccc1-c1nc(Nc2n[nH]c3ccccc23)c2ccccc2n1
InChIInChI=1S/C25H22FN5.C25H23N5.C21H13F2N5O.C21H15N5O/c1-25(2,3)19-10-6-4-8-16(19)22-27-20-11-7-5-9-17(20)23(28-22)29-24-18-14-15(26)12-13-21(18)30-31-24;1-25(2,3)19-13-7-4-10-16(19)22-26-20-14-8-5-11-17(20)23(27-22)28-24-18-12-6-9-15-21(18)29-30-24;22-11-9-14-18(15(23)10-11)27-28-21(14)26-19-12-5-1-3-7-16(12)24-20(25-19)13-6-2-4-8-17(13)29;27-18-12-6-3-9-15(18)20-22-16-10-4-1-7-13(16)19(23-20)24-21-14-8-2-5-11-17(14)25-26-21/h4-14H,1-3H3,(H2,27,28,29,30,31);4-15H,1-3H3,(H2,26,27,28,29,30);1-10,29H,(H2,24,25,26,27,28);1-12,27H,(H2,22,23,24,25,26)
InChIKeyUCNOJJOXMDURPY-UHFFFAOYSA-N
XLogP22.09
TPSA306.42 Ų
H-Bond Donors10
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001547.73
LogP ≤ 522.09
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1018

Analyze 2-(2-tert-butylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-tert-butylphenyl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol;2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]phenol with MolForge

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Related Compounds

2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol
CID 135597702
2-(2-ethoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-ethylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]phenol;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 159664462
3-[4-Amino-1-[[2-(cyclobutylmethyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[[2-(cyclopentylamino)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[[2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[[2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol
CID 160159854
N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 160687311
2-(2-ethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenol;N-(5-methyl-1H-pyrazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine;N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 161612412
3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenol;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)
CID 91031981
2-(azepan-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-phenylpiperidin-4-ol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(1,3-dihydroisoindol-2-yl)quinazolin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine
CID 157664461
2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;3-(3-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3,13-dimethyl-4,5,7,9,11,13,14-heptazatetracyclo[6.6.1.02,6.012,15]pentadeca-1,3,5,8(15),9,11-hexaene;1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157909581
2-(2-cyclopropylphenyl)-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-cyclopropylphenyl)-N-(1H-indazol-3-yl)quinazolin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-(2-methoxyphenyl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-(2-methoxyphenyl)quinazolin-4-amine
CID 158070158
3-[4-Amino-1-[[8-methyl-2-(2-methylphenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-(quinolin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 158964059
3-[4-amino-1-[(2-piperidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-4-fluorophenol;2-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 159202418
3-[4-Amino-1-[[2-(diethylamino)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[[2-(4-methyl-3-pyridinyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-(2-phenylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol
CID 160659031

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-tert-butylphenyl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol;2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]phenol?
The IUPAC name of 2-(2-tert-butylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-tert-butylphenyl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol;2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]phenol (CID 161054283) is 2-(2-tert-butylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-tert-butylphenyl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol;2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]phenol.
What is the SMILES notation for 2-(2-tert-butylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-tert-butylphenyl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol;2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]phenol?
The canonical SMILES for 2-(2-tert-butylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-tert-butylphenyl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol;2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]phenol is CC(C)(C)c1ccccc1-c1nc(Nc2n[nH]c3ccc(F)cc23)c2ccccc2n1.CC(C)(C)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)c2ccccc2n1.Oc1ccccc1-c1nc(Nc2n[nH]c3c(F)cc(F)cc23)c2ccccc2n1.Oc1ccccc1-c1nc(Nc2n[nH]c3ccccc23)c2ccccc2n1.
What is the InChIKey of 2-(2-tert-butylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-tert-butylphenyl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol;2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]phenol?
The InChIKey is UCNOJJOXMDURPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5.C25H23N5.C21H13F2N5O.C21H15N5O/c1-25(2,3)19-10-6-4-8-16(19)22-27-20-11-7-5-9-17(20)23(28-22)29-24-18-14-15(26)12-13-21(18)30-31-24;1-25(2,3)19-13-7-4-10-16(19)22-26-20-14-8-5-11-17(20)23(27-22)28-24-18-12-6-9-15-21(18)29-30-24;22-11-9-14-18(15(23)10-11)27-28-21(14)26-19-12-5-1-3-7-16(12)24-20(25-19)13-6-2-4-8-17(13)29;27-18-12-6-3-9-15(18)20-22-16-10-4-1-7-13(16)19(23-20)24-21-14-8-2-5-11-17(14)25-26-21/h4-14H,1-3H3,(H2,27,28,29,30,31);4-15H,1-3H3,(H2,26,27,28,29,30);1-10,29H,(H2,24,25,26,27,28);1-12,27H,(H2,22,23,24,25,26).
What are the key properties of 2-(2-tert-butylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-tert-butylphenyl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol;2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]phenol?
2-(2-tert-butylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-tert-butylphenyl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol;2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]phenol has a molecular weight of 1547.73 g/mol, XLogP of 22.09, 12 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-tert-butylphenyl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol;2-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]phenol is sourced from PubChem (CID 161054283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).