4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-phenylbenzamide

C24H20ClN7O — CID 72734885

IUPAC4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-phenylbenzamide
SMILESCc1nn(C)cc1-c1nc2ncc(Cl)c(Nc3ccc(C(=O)Nc4ccccc4)cc3)c2[nH]1
InChIInChI=1S/C24H20ClN7O/c1-14-18(13-32(2)31-14)22-29-21-20(19(25)12-26-23(21)30-22)27-17-10-8-15(9-11-17)24(33)28-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,28,33)(H2,26,27,29,30)
InChIKeyKRQUQAQHMVDXTH-UHFFFAOYSA-N
MW457.93 g/mol
LogP5.32
Rot. Bonds5

About 4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-phenylbenzamide

4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-phenylbenzamide (PubChem CID 72734885) has the molecular formula C24H20ClN7O and a molecular weight of 457.93 g/mol. Its IUPAC name is 4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-phenylbenzamide
PubChem CID72734885
Molecular FormulaC24H20ClN7O
Molecular Weight457.93 g/mol
Exact Mass457.14
IUPAC Name4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-phenylbenzamide
SMILESCc1nn(C)cc1-c1nc2ncc(Cl)c(Nc3ccc(C(=O)Nc4ccccc4)cc3)c2[nH]1
InChIInChI=1S/C24H20ClN7O/c1-14-18(13-32(2)31-14)22-29-21-20(19(25)12-26-23(21)30-22)27-17-10-8-15(9-11-17)24(33)28-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,28,33)(H2,26,27,29,30)
InChIKeyKRQUQAQHMVDXTH-UHFFFAOYSA-N
XLogP5.32
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.93
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-phenylbenzamide?
The IUPAC name of 4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-phenylbenzamide (CID 72734885) is 4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-phenylbenzamide.
What is the SMILES notation for 4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-phenylbenzamide?
The canonical SMILES for 4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-phenylbenzamide is Cc1nn(C)cc1-c1nc2ncc(Cl)c(Nc3ccc(C(=O)Nc4ccccc4)cc3)c2[nH]1.
What is the InChIKey of 4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-phenylbenzamide?
The InChIKey is KRQUQAQHMVDXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN7O/c1-14-18(13-32(2)31-14)22-29-21-20(19(25)12-26-23(21)30-22)27-17-10-8-15(9-11-17)24(33)28-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,28,33)(H2,26,27,29,30).
What are the key properties of 4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-phenylbenzamide?
4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-phenylbenzamide has a molecular weight of 457.93 g/mol, XLogP of 5.32, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-phenylbenzamide is sourced from PubChem (CID 72734885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).