2-[(4-hydroxycyclohexyl)amino]-4-(4-naphthalen-2-yl-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide

C32H33N5O2 — CID 155527383

IUPAC2-[(4-hydroxycyclohexyl)amino]-4-(4-naphthalen-2-yl-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide
SMILESCC(C)c1nn(-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)c2nccc(-c3ccc4ccccc4c3)c12
InChIInChI=1S/C32H33N5O2/c1-19(2)30-29-26(22-8-7-20-5-3-4-6-21(20)17-22)15-16-34-32(29)37(36-30)24-11-14-27(31(33)39)28(18-24)35-23-9-12-25(38)13-10-23/h3-8,11,14-19,23,25,35,38H,9-10,12-13H2,1-2H3,(H2,33,39)
InChIKeyCDCXOJRVVSFJFS-UHFFFAOYSA-N
MW519.65 g/mol
LogP6.18
Rot. Bonds6

About 2-[(4-hydroxycyclohexyl)amino]-4-(4-naphthalen-2-yl-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide

2-[(4-hydroxycyclohexyl)amino]-4-(4-naphthalen-2-yl-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide (PubChem CID 155527383) has the molecular formula C32H33N5O2 and a molecular weight of 519.65 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)amino]-4-(4-naphthalen-2-yl-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)amino]-4-(4-naphthalen-2-yl-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide
PubChem CID155527383
Molecular FormulaC32H33N5O2
Molecular Weight519.65 g/mol
Exact Mass519.26
IUPAC Name2-[(4-hydroxycyclohexyl)amino]-4-(4-naphthalen-2-yl-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide
SMILESCC(C)c1nn(-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)c2nccc(-c3ccc4ccccc4c3)c12
InChIInChI=1S/C32H33N5O2/c1-19(2)30-29-26(22-8-7-20-5-3-4-6-21(20)17-22)15-16-34-32(29)37(36-30)24-11-14-27(31(33)39)28(18-24)35-23-9-12-25(38)13-10-23/h3-8,11,14-19,23,25,35,38H,9-10,12-13H2,1-2H3,(H2,33,39)
InChIKeyCDCXOJRVVSFJFS-UHFFFAOYSA-N
XLogP6.18
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.65
LogP ≤ 56.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(4-hydroxycyclohexyl)amino]-4-(4-naphthalen-2-yl-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-4-(4-naphthalen-2-yl-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide?
The IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-4-(4-naphthalen-2-yl-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide (CID 155527383) is 2-[(4-hydroxycyclohexyl)amino]-4-(4-naphthalen-2-yl-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)amino]-4-(4-naphthalen-2-yl-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)amino]-4-(4-naphthalen-2-yl-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide is CC(C)c1nn(-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)c2nccc(-c3ccc4ccccc4c3)c12.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)amino]-4-(4-naphthalen-2-yl-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide?
The InChIKey is CDCXOJRVVSFJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N5O2/c1-19(2)30-29-26(22-8-7-20-5-3-4-6-21(20)17-22)15-16-34-32(29)37(36-30)24-11-14-27(31(33)39)28(18-24)35-23-9-12-25(38)13-10-23/h3-8,11,14-19,23,25,35,38H,9-10,12-13H2,1-2H3,(H2,33,39).
What are the key properties of 2-[(4-hydroxycyclohexyl)amino]-4-(4-naphthalen-2-yl-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide?
2-[(4-hydroxycyclohexyl)amino]-4-(4-naphthalen-2-yl-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide has a molecular weight of 519.65 g/mol, XLogP of 6.18, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)amino]-4-(4-naphthalen-2-yl-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide is sourced from PubChem (CID 155527383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).