1-cyclopentyl-N-[3-[(2,6-dimethylbenzoyl)amino]-2-hydroxypropyl]pyrazolo[3,4-b]pyridine-5-carboxamide

C24H29N5O3 — CID 166394006

IUPAC1-cyclopentyl-N-[3-[(2,6-dimethylbenzoyl)amino]-2-hydroxypropyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1cccc(C)c1C(=O)NCC(O)CNC(=O)c1cnc2c(cnn2C2CCCC2)c1
InChIInChI=1S/C24H29N5O3/c1-15-6-5-7-16(2)21(15)24(32)27-14-20(30)13-26-23(31)18-10-17-12-28-29(22(17)25-11-18)19-8-3-4-9-19/h5-7,10-12,19-20,30H,3-4,8-9,13-14H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyQYLKOAFBWDHNGA-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.68
Rot. Bonds7

About 1-cyclopentyl-N-[3-[(2,6-dimethylbenzoyl)amino]-2-hydroxypropyl]pyrazolo[3,4-b]pyridine-5-carboxamide

1-cyclopentyl-N-[3-[(2,6-dimethylbenzoyl)amino]-2-hydroxypropyl]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 166394006) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 1-cyclopentyl-N-[3-[(2,6-dimethylbenzoyl)amino]-2-hydroxypropyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[3-[(2,6-dimethylbenzoyl)amino]-2-hydroxypropyl]pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID166394006
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name1-cyclopentyl-N-[3-[(2,6-dimethylbenzoyl)amino]-2-hydroxypropyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1cccc(C)c1C(=O)NCC(O)CNC(=O)c1cnc2c(cnn2C2CCCC2)c1
InChIInChI=1S/C24H29N5O3/c1-15-6-5-7-16(2)21(15)24(32)27-14-20(30)13-26-23(31)18-10-17-12-28-29(22(17)25-11-18)19-8-3-4-9-19/h5-7,10-12,19-20,30H,3-4,8-9,13-14H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyQYLKOAFBWDHNGA-UHFFFAOYSA-N
XLogP2.68
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[3-[(2,6-dimethylbenzoyl)amino]-2-hydroxypropyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[3-[(2,6-dimethylbenzoyl)amino]-2-hydroxypropyl]pyrazolo[3,4-b]pyridine-5-carboxamide (CID 166394006) is 1-cyclopentyl-N-[3-[(2,6-dimethylbenzoyl)amino]-2-hydroxypropyl]pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[3-[(2,6-dimethylbenzoyl)amino]-2-hydroxypropyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[3-[(2,6-dimethylbenzoyl)amino]-2-hydroxypropyl]pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1cccc(C)c1C(=O)NCC(O)CNC(=O)c1cnc2c(cnn2C2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-N-[3-[(2,6-dimethylbenzoyl)amino]-2-hydroxypropyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is QYLKOAFBWDHNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-15-6-5-7-16(2)21(15)24(32)27-14-20(30)13-26-23(31)18-10-17-12-28-29(22(17)25-11-18)19-8-3-4-9-19/h5-7,10-12,19-20,30H,3-4,8-9,13-14H2,1-2H3,(H,26,31)(H,27,32).
What are the key properties of 1-cyclopentyl-N-[3-[(2,6-dimethylbenzoyl)amino]-2-hydroxypropyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
1-cyclopentyl-N-[3-[(2,6-dimethylbenzoyl)amino]-2-hydroxypropyl]pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 2.68, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[3-[(2,6-dimethylbenzoyl)amino]-2-hydroxypropyl]pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 166394006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).