N-[1-(3-ethyl-4-methyl-1,2-oxazol-5-yl)ethyl]-6-hydroxy-N-methyl-2-[6-methyl-3-(methylamino)-1H-indazol-5-yl]quinazoline-4-carboxamide

C27H29N7O3 — CID 167060171

IUPACN-[1-(3-ethyl-4-methyl-1,2-oxazol-5-yl)ethyl]-6-hydroxy-N-methyl-2-[6-methyl-3-(methylamino)-1H-indazol-5-yl]quinazoline-4-carboxamide
SMILESCCc1noc(C(C)N(C)C(=O)c2nc(-c3cc4c(NC)n[nH]c4cc3C)nc3ccc(O)cc23)c1C
InChIInChI=1S/C27H29N7O3/c1-7-20-14(3)24(37-33-20)15(4)34(6)27(36)23-18-11-16(35)8-9-21(18)29-26(30-23)17-12-19-22(10-13(17)2)31-32-25(19)28-5/h8-12,15,35H,7H2,1-6H3,(H2,28,31,32)
InChIKeyHNDNACBOAAAPKH-UHFFFAOYSA-N
MW499.58 g/mol
LogP4.92
Rot. Bonds6

About N-[1-(3-ethyl-4-methyl-1,2-oxazol-5-yl)ethyl]-6-hydroxy-N-methyl-2-[6-methyl-3-(methylamino)-1H-indazol-5-yl]quinazoline-4-carboxamide

N-[1-(3-ethyl-4-methyl-1,2-oxazol-5-yl)ethyl]-6-hydroxy-N-methyl-2-[6-methyl-3-(methylamino)-1H-indazol-5-yl]quinazoline-4-carboxamide (PubChem CID 167060171) has the molecular formula C27H29N7O3 and a molecular weight of 499.58 g/mol. Its IUPAC name is N-[1-(3-ethyl-4-methyl-1,2-oxazol-5-yl)ethyl]-6-hydroxy-N-methyl-2-[6-methyl-3-(methylamino)-1H-indazol-5-yl]quinazoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-ethyl-4-methyl-1,2-oxazol-5-yl)ethyl]-6-hydroxy-N-methyl-2-[6-methyl-3-(methylamino)-1H-indazol-5-yl]quinazoline-4-carboxamide
PubChem CID167060171
Molecular FormulaC27H29N7O3
Molecular Weight499.58 g/mol
Exact Mass499.23
IUPAC NameN-[1-(3-ethyl-4-methyl-1,2-oxazol-5-yl)ethyl]-6-hydroxy-N-methyl-2-[6-methyl-3-(methylamino)-1H-indazol-5-yl]quinazoline-4-carboxamide
SMILESCCc1noc(C(C)N(C)C(=O)c2nc(-c3cc4c(NC)n[nH]c4cc3C)nc3ccc(O)cc23)c1C
InChIInChI=1S/C27H29N7O3/c1-7-20-14(3)24(37-33-20)15(4)34(6)27(36)23-18-11-16(35)8-9-21(18)29-26(30-23)17-12-19-22(10-13(17)2)31-32-25(19)28-5/h8-12,15,35H,7H2,1-6H3,(H2,28,31,32)
InChIKeyHNDNACBOAAAPKH-UHFFFAOYSA-N
XLogP4.92
TPSA133.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.58
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[1-(3-ethyl-4-methyl-1,2-oxazol-5-yl)ethyl]-6-hydroxy-N-methyl-2-[6-methyl-3-(methylamino)-1H-indazol-5-yl]quinazoline-4-carboxamide with MolForge

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Related Compounds

2-(3-amino-4-methyl-1H-indazol-6-yl)-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methylquinazoline-4-carboxamide
CID 167060153
N-(5-hydroxy-1H-indazol-3-yl)benzamide
CID 45086916
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-2-[5-(hydroxymethyl)-2-methylphenyl]-N-methylquinazoline-4-carboxamide
CID 167060184
N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)quinazoline-4-carboxamide
CID 167060298
3-propan-2-yl-2,1-benzoxazol-5-ol
CID 105436782
2-(2,4-dimethylphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 63561539
N-[5,6-bis(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide
CID 135848037
N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-2-[3-hydroxy-5-[2-(methylamino)ethylamino]phenyl]-N-methylquinazoline-4-carboxamide
CID 167060347
N-(6-hydroxy-1H-indazol-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 167777397
N-(1-hydroxypropan-2-yl)-N,5-dimethyl-1H-indazole-3-carboxamide
CID 109388543
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-2-[3-methoxy-4-(oxan-4-ylamino)phenyl]-N-methylquinazoline-4-carboxamide
CID 167060232
N,5-dimethyl-1H-indazol-3-amine
CID 18679264

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-4-methyl-1,2-oxazol-5-yl)ethyl]-6-hydroxy-N-methyl-2-[6-methyl-3-(methylamino)-1H-indazol-5-yl]quinazoline-4-carboxamide?
The IUPAC name of N-[1-(3-ethyl-4-methyl-1,2-oxazol-5-yl)ethyl]-6-hydroxy-N-methyl-2-[6-methyl-3-(methylamino)-1H-indazol-5-yl]quinazoline-4-carboxamide (CID 167060171) is N-[1-(3-ethyl-4-methyl-1,2-oxazol-5-yl)ethyl]-6-hydroxy-N-methyl-2-[6-methyl-3-(methylamino)-1H-indazol-5-yl]quinazoline-4-carboxamide.
What is the SMILES notation for N-[1-(3-ethyl-4-methyl-1,2-oxazol-5-yl)ethyl]-6-hydroxy-N-methyl-2-[6-methyl-3-(methylamino)-1H-indazol-5-yl]quinazoline-4-carboxamide?
The canonical SMILES for N-[1-(3-ethyl-4-methyl-1,2-oxazol-5-yl)ethyl]-6-hydroxy-N-methyl-2-[6-methyl-3-(methylamino)-1H-indazol-5-yl]quinazoline-4-carboxamide is CCc1noc(C(C)N(C)C(=O)c2nc(-c3cc4c(NC)n[nH]c4cc3C)nc3ccc(O)cc23)c1C.
What is the InChIKey of N-[1-(3-ethyl-4-methyl-1,2-oxazol-5-yl)ethyl]-6-hydroxy-N-methyl-2-[6-methyl-3-(methylamino)-1H-indazol-5-yl]quinazoline-4-carboxamide?
The InChIKey is HNDNACBOAAAPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O3/c1-7-20-14(3)24(37-33-20)15(4)34(6)27(36)23-18-11-16(35)8-9-21(18)29-26(30-23)17-12-19-22(10-13(17)2)31-32-25(19)28-5/h8-12,15,35H,7H2,1-6H3,(H2,28,31,32).
What are the key properties of N-[1-(3-ethyl-4-methyl-1,2-oxazol-5-yl)ethyl]-6-hydroxy-N-methyl-2-[6-methyl-3-(methylamino)-1H-indazol-5-yl]quinazoline-4-carboxamide?
N-[1-(3-ethyl-4-methyl-1,2-oxazol-5-yl)ethyl]-6-hydroxy-N-methyl-2-[6-methyl-3-(methylamino)-1H-indazol-5-yl]quinazoline-4-carboxamide has a molecular weight of 499.58 g/mol, XLogP of 4.92, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-4-methyl-1,2-oxazol-5-yl)ethyl]-6-hydroxy-N-methyl-2-[6-methyl-3-(methylamino)-1H-indazol-5-yl]quinazoline-4-carboxamide is sourced from PubChem (CID 167060171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).