7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazoline-2-carboxamide

C23H19N7O2 — CID 173150227

IUPAC7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazoline-2-carboxamide
SMILESCOc1ccc2c(Nc3ccc4c(cnn4Cc4ccccn4)c3)nc(C(N)=O)nc2c1
InChIInChI=1S/C23H19N7O2/c1-32-17-6-7-18-19(11-17)28-23(21(24)31)29-22(18)27-15-5-8-20-14(10-15)12-26-30(20)13-16-4-2-3-9-25-16/h2-12H,13H2,1H3,(H2,24,31)(H,27,28,29)
InChIKeyMJYPSNKHXQWHBN-UHFFFAOYSA-N
MW425.45 g/mol
LogP3.27
Rot. Bonds6

About 7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazoline-2-carboxamide

7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazoline-2-carboxamide (PubChem CID 173150227) has the molecular formula C23H19N7O2 and a molecular weight of 425.45 g/mol. Its IUPAC name is 7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazoline-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazoline-2-carboxamide
PubChem CID173150227
Molecular FormulaC23H19N7O2
Molecular Weight425.45 g/mol
Exact Mass425.16
IUPAC Name7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazoline-2-carboxamide
SMILESCOc1ccc2c(Nc3ccc4c(cnn4Cc4ccccn4)c3)nc(C(N)=O)nc2c1
InChIInChI=1S/C23H19N7O2/c1-32-17-6-7-18-19(11-17)28-23(21(24)31)29-22(18)27-15-5-8-20-14(10-15)12-26-30(20)13-16-4-2-3-9-25-16/h2-12H,13H2,1H3,(H2,24,31)(H,27,28,29)
InChIKeyMJYPSNKHXQWHBN-UHFFFAOYSA-N
XLogP3.27
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-5-yl] acetate
CID 69296183
4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-fluoroquinazoline-2-carboxamide
CID 90980287
N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-6-methoxyquinazolin-4-amine
CID 141314754
4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazoline-2-carboxamide
CID 172995354
4-(3-chloro-4-fluoroanilino)-7-(fluoromethoxy)quinazoline-2-carboxamide
CID 172995353
5-[[(2R)-piperidin-2-yl]methoxy]-N-[1-(pyridin-2-ylmethyl)indazol-5-yl]quinazolin-4-amine
CID 68947786
2-hydroxy-1-[(2R)-2-[[4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-5-yl]oxymethyl]piperidin-1-yl]ethanone
CID 11853988
1-(pyridin-2-ylmethyl)indazole-5-carbaldehyde
CID 123739910
1-[4-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-methoxyquinazolin-2-yl]oxypiperidin-1-yl]-2-hydroxyethanone
CID 90864155
4-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(4-methoxyphenyl)hydrazinylidene]methyl]pyrimidine-4,6-diamine
CID 66920497
2-N-(1-benzylindol-5-yl)-5-bromo-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;5-bromo-4-N-(pyridin-2-ylmethyl)-2-N-[1-(pyridin-2-ylmethyl)indazol-5-yl]pyrimidine-2,4-diamine
CID 87957243
(2S)-2-[4-[[1-(1,3-thiazol-2-ylmethyl)indazol-5-yl]amino]quinazolin-5-yl]oxypropanoic acid
CID 68618394

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazoline-2-carboxamide?
The IUPAC name of 7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazoline-2-carboxamide (CID 173150227) is 7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazoline-2-carboxamide.
What is the SMILES notation for 7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazoline-2-carboxamide?
The canonical SMILES for 7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazoline-2-carboxamide is COc1ccc2c(Nc3ccc4c(cnn4Cc4ccccn4)c3)nc(C(N)=O)nc2c1.
What is the InChIKey of 7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazoline-2-carboxamide?
The InChIKey is MJYPSNKHXQWHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O2/c1-32-17-6-7-18-19(11-17)28-23(21(24)31)29-22(18)27-15-5-8-20-14(10-15)12-26-30(20)13-16-4-2-3-9-25-16/h2-12H,13H2,1H3,(H2,24,31)(H,27,28,29).
What are the key properties of 7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazoline-2-carboxamide?
7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazoline-2-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazoline-2-carboxamide is sourced from PubChem (CID 173150227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).