2-methyl-N-[4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]propanamide;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine

C61H55N23O — CID 90808839

IUPAC2-methyl-N-[4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]propanamide;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine
SMILESCC(C)C(=O)Nc1ccc(Nc2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1.c1ccc(Nc2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1.c1ccc2c(Nc3ccn[nH]3)ncnc2c1
InChIInChI=1S/C21H21N7O.C17H14N6.C12H11N5.C11H9N5/c1-13(2)20(29)23-14-7-9-15(10-8-14)24-21-25-17-6-4-3-5-16(17)19(27-21)26-18-11-12-22-28-18;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/h3-13H,1-2H3,(H,23,29)(H3,22,24,25,26,27,28);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)
InChIKeyCPTISFGROZZQRR-UHFFFAOYSA-N
MW1126.27 g/mol
LogP12.78
Rot. Bonds14

About 2-methyl-N-[4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]propanamide;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine

2-methyl-N-[4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]propanamide;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine (PubChem CID 90808839) has the molecular formula C61H55N23O and a molecular weight of 1126.27 g/mol. Its IUPAC name is 2-methyl-N-[4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]propanamide;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]propanamide;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine
PubChem CID90808839
Molecular FormulaC61H55N23O
Molecular Weight1126.27 g/mol
Exact Mass1125.50
IUPAC Name2-methyl-N-[4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]propanamide;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine
SMILESCC(C)C(=O)Nc1ccc(Nc2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1.c1ccc(Nc2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1.c1ccc2c(Nc3ccn[nH]3)ncnc2c1
InChIInChI=1S/C21H21N7O.C17H14N6.C12H11N5.C11H9N5/c1-13(2)20(29)23-14-7-9-15(10-8-14)24-21-25-17-6-4-3-5-16(17)19(27-21)26-18-11-12-22-28-18;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/h3-13H,1-2H3,(H,23,29)(H3,22,24,25,26,27,28);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)
InChIKeyCPTISFGROZZQRR-UHFFFAOYSA-N
XLogP12.78
TPSA319.12 Ų
H-Bond Donors11
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms85
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001126.27
LogP ≤ 512.78
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1019

Analyze 2-methyl-N-[4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]propanamide;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine with MolForge

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Related Compounds

N-[2-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenyl]propanamide
CID 122186134
N-[5-[1-[1-[4-[[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3,3-dimethyl-4-oxobutyl]piperidin-2-yl]quinolin-1-ium-3-yl]-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide
CID 91399175
(7R)-8-cyclohexyl-2-[(7-fluoro-1H-indazol-5-yl)amino]-7-methyl-5-(6-pyrrolidin-1-yl-3-pyridinyl)-7H-pteridin-6-one
CID 121361011
N-[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-benzimidazol-2-yl]-1-[2-[3-fluoro-5-[2-[5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]anilino]ethyl-methylamino]pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 136631168
N-[5-[3-[7-[4-fluoro-3-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazol-7-yl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 137154849
N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-7-yl]-4-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 145034461
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]piperidine-4-carboxamide
CID 154630512
4-[4-[[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]cyclohexane-1-carboxamide
CID 155753745
2,2-difluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-d]pyrimidin-3-ylamino)indazol-1-yl]propan-1-one;N-(1,3-dimethylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-(1-ethyl-3-methylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[3-methyl-1-(2-methylprop-2-enyl)indazol-5-yl]-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[3-methyl-1-(4-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridin-5-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1-pentylindol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1-propylindazol-5-yl)-7H-pyrrolo[3,4-b]pyrazin-5-amine;N-[1-[(3-methyl-2H-pyrrol-5-yl)methyl]indazol-5-yl]-7H-pyrrolo[3,4-b]pyrazin-5-amine
CID 161346069
N-(4,5-diphenyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(1H-pyrazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;5-[[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]-1,2-dihydropyrazol-3-one;5-[[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]-1H-pyrazole-4-carboxamide
CID 161633452
N-(3-chloro-1H-isoindol-5-yl)-5H-pyrrolo[3,4-b]pyridin-7-amine;2,2-difluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)indazol-1-yl]propan-1-one;N-[1-(2,2-difluoropropyl)-3-methylindazol-5-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[1-(2-fluoro-2-methylbutyl)-3-methylindazol-5-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 161960585
4-[4-[[3-[[6-[1-fluoro-4-[[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]carbamoyl]cyclohexyl]-4-methyl-2-pyridinyl]amino]-5-methylpyrazol-1-yl]methyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]cyclohex-3-ene-1-carboxamide
CID 164967070

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]propanamide;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;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 2-methyl-N-[4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]propanamide;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine (CID 90808839) is 2-methyl-N-[4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]propanamide;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;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 2-methyl-N-[4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]propanamide;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;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 2-methyl-N-[4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]propanamide;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine is CC(C)C(=O)Nc1ccc(Nc2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1.c1ccc(Nc2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1.c1ccc2c(Nc3ccn[nH]3)ncnc2c1.
What is the InChIKey of 2-methyl-N-[4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]propanamide;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine?
The InChIKey is CPTISFGROZZQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O.C17H14N6.C12H11N5.C11H9N5/c1-13(2)20(29)23-14-7-9-15(10-8-14)24-21-25-17-6-4-3-5-16(17)19(27-21)26-18-11-12-22-28-18;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/h3-13H,1-2H3,(H,23,29)(H3,22,24,25,26,27,28);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 2-methyl-N-[4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]propanamide;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;N-(1H-pyrazol-5-yl)quinazolin-4-amine?
2-methyl-N-[4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]propanamide;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;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 1126.27 g/mol, XLogP of 12.78, 14 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]propanamide;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;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 90808839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).