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

C27H30N6O2 — CID 67501291

IUPAC2-[(4-hydroxycyclohexyl)amino]-4-(3-propan-2-yl-4-pyridin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide
SMILESCC(C)c1nn(-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)c2nccc(-c3cccnc3)c12
InChIInChI=1S/C27H30N6O2/c1-16(2)25-24-21(17-4-3-12-29-15-17)11-13-30-27(24)33(32-25)19-7-10-22(26(28)35)23(14-19)31-18-5-8-20(34)9-6-18/h3-4,7,10-16,18,20,31,34H,5-6,8-9H2,1-2H3,(H2,28,35)
InChIKeyKXRXYDBRDVRGMB-UHFFFAOYSA-N
MW470.58 g/mol
LogP4.42
Rot. Bonds6

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

2-[(4-hydroxycyclohexyl)amino]-4-(3-propan-2-yl-4-pyridin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide (PubChem CID 67501291) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)amino]-4-(3-propan-2-yl-4-pyridin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)amino]-4-(3-propan-2-yl-4-pyridin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide
PubChem CID67501291
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC Name2-[(4-hydroxycyclohexyl)amino]-4-(3-propan-2-yl-4-pyridin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide
SMILESCC(C)c1nn(-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)c2nccc(-c3cccnc3)c12
InChIInChI=1S/C27H30N6O2/c1-16(2)25-24-21(17-4-3-12-29-15-17)11-13-30-27(24)33(32-25)19-7-10-22(26(28)35)23(14-19)31-18-5-8-20(34)9-6-18/h3-4,7,10-16,18,20,31,34H,5-6,8-9H2,1-2H3,(H2,28,35)
InChIKeyKXRXYDBRDVRGMB-UHFFFAOYSA-N
XLogP4.42
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-4-(3-propan-2-yl-4-pyridin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide?
The IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-4-(3-propan-2-yl-4-pyridin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide (CID 67501291) is 2-[(4-hydroxycyclohexyl)amino]-4-(3-propan-2-yl-4-pyridin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)amino]-4-(3-propan-2-yl-4-pyridin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)amino]-4-(3-propan-2-yl-4-pyridin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide is CC(C)c1nn(-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)c2nccc(-c3cccnc3)c12.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)amino]-4-(3-propan-2-yl-4-pyridin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide?
The InChIKey is KXRXYDBRDVRGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2/c1-16(2)25-24-21(17-4-3-12-29-15-17)11-13-30-27(24)33(32-25)19-7-10-22(26(28)35)23(14-19)31-18-5-8-20(34)9-6-18/h3-4,7,10-16,18,20,31,34H,5-6,8-9H2,1-2H3,(H2,28,35).
What are the key properties of 2-[(4-hydroxycyclohexyl)amino]-4-(3-propan-2-yl-4-pyridin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide?
2-[(4-hydroxycyclohexyl)amino]-4-(3-propan-2-yl-4-pyridin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide has a molecular weight of 470.58 g/mol, XLogP of 4.42, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)amino]-4-(3-propan-2-yl-4-pyridin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide is sourced from PubChem (CID 67501291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).