2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide

C23H25N5O — CID 20948320

IUPAC2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc(CCNC(=O)Cn2nc(-n3cccc3)c3c(C)cc(C)nc32)cc1
InChIInChI=1S/C23H25N5O/c1-16-6-8-19(9-7-16)10-11-24-20(29)15-28-22-21(17(2)14-18(3)25-22)23(26-28)27-12-4-5-13-27/h4-9,12-14H,10-11,15H2,1-3H3,(H,24,29)
InChIKeyWVRKDGVYUOGGFO-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.51
Rot. Bonds6

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

2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide (PubChem CID 20948320) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide
PubChem CID20948320
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc(CCNC(=O)Cn2nc(-n3cccc3)c3c(C)cc(C)nc32)cc1
InChIInChI=1S/C23H25N5O/c1-16-6-8-19(9-7-16)10-11-24-20(29)15-28-22-21(17(2)14-18(3)25-22)23(26-28)27-12-4-5-13-27/h4-9,12-14H,10-11,15H2,1-3H3,(H,24,29)
InChIKeyWVRKDGVYUOGGFO-UHFFFAOYSA-N
XLogP3.51
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 20948314
2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide
CID 20948383
2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 20948279
N-[(4-chlorophenyl)methyl]-4-[(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)methyl]benzamide
CID 20948443
4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxypropyl)butanamide
CID 46340909
4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 20948437
N-[(3-chlorophenyl)methyl]-4-[(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)methyl]benzamide
CID 20948440
N-[(3,4-dimethoxyphenyl)methyl]-4-[(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)methyl]benzamide
CID 20948472
N-(3-chlorophenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide
CID 46340878
N-(2,5-dimethoxyphenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide
CID 20948423
N-[2-(4-chlorophenyl)ethyl]-2-(6-methylindazol-1-yl)acetamide
CID 22509911
2-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-[(4-methylphenyl)methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 53128499

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide (CID 20948320) is 2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide is Cc1ccc(CCNC(=O)Cn2nc(-n3cccc3)c3c(C)cc(C)nc32)cc1.
What is the InChIKey of 2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide?
The InChIKey is WVRKDGVYUOGGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-16-6-8-19(9-7-16)10-11-24-20(29)15-28-22-21(17(2)14-18(3)25-22)23(26-28)27-12-4-5-13-27/h4-9,12-14H,10-11,15H2,1-3H3,(H,24,29).
What are the key properties of 2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide?
2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide has a molecular weight of 387.49 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 20948320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).