N-(2,5-dimethoxyphenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide

C24H27N5O3 — CID 20948423

IUPACN-(2,5-dimethoxyphenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide
SMILESCOc1ccc(OC)c(NC(=O)CCCn2nc(-n3cccc3)c3c(C)cc(C)nc32)c1
InChIInChI=1S/C24H27N5O3/c1-16-14-17(2)25-23-22(16)24(28-11-5-6-12-28)27-29(23)13-7-8-21(30)26-19-15-18(31-3)9-10-20(19)32-4/h5-6,9-12,14-15H,7-8,13H2,1-4H3,(H,26,30)
InChIKeyVGUBGRWWKDURSN-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.27
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide

N-(2,5-dimethoxyphenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide (PubChem CID 20948423) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide
PubChem CID20948423
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-(2,5-dimethoxyphenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide
SMILESCOc1ccc(OC)c(NC(=O)CCCn2nc(-n3cccc3)c3c(C)cc(C)nc32)c1
InChIInChI=1S/C24H27N5O3/c1-16-14-17(2)25-23-22(16)24(28-11-5-6-12-28)27-29(23)13-7-8-21(30)26-19-15-18(31-3)9-10-20(19)32-4/h5-6,9-12,14-15H,7-8,13H2,1-4H3,(H,26,30)
InChIKeyVGUBGRWWKDURSN-UHFFFAOYSA-N
XLogP4.27
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide (CID 20948423) is N-(2,5-dimethoxyphenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide is COc1ccc(OC)c(NC(=O)CCCn2nc(-n3cccc3)c3c(C)cc(C)nc32)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide?
The InChIKey is VGUBGRWWKDURSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-16-14-17(2)25-23-22(16)24(28-11-5-6-12-28)27-29(23)13-7-8-21(30)26-19-15-18(31-3)9-10-20(19)32-4/h5-6,9-12,14-15H,7-8,13H2,1-4H3,(H,26,30).
What are the key properties of N-(2,5-dimethoxyphenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide?
N-(2,5-dimethoxyphenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide has a molecular weight of 433.51 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide is sourced from PubChem (CID 20948423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).