N-(4-cyclooctyl-1H-pyrazolo[3,4-b]pyridin-5-yl)cyclononanecarboxamide

C24H36N4O — CID 146616155

IUPACN-(4-cyclooctyl-1H-pyrazolo[3,4-b]pyridin-5-yl)cyclononanecarboxamide
SMILESO=C(Nc1cnc2[nH]ncc2c1C1CCCCCCC1)C1CCCCCCCC1
InChIInChI=1S/C24H36N4O/c29-24(19-14-10-4-1-2-5-11-15-19)27-21-17-25-23-20(16-26-28-23)22(21)18-12-8-6-3-7-9-13-18/h16-19H,1-15H2,(H,27,29)(H,25,26,28)
InChIKeyCOZWAILVRIKAJJ-UHFFFAOYSA-N
MW396.58 g/mol
LogP6.47
Rot. Bonds3

About N-(4-cyclooctyl-1H-pyrazolo[3,4-b]pyridin-5-yl)cyclononanecarboxamide

N-(4-cyclooctyl-1H-pyrazolo[3,4-b]pyridin-5-yl)cyclononanecarboxamide (PubChem CID 146616155) has the molecular formula C24H36N4O and a molecular weight of 396.58 g/mol. Its IUPAC name is N-(4-cyclooctyl-1H-pyrazolo[3,4-b]pyridin-5-yl)cyclononanecarboxamide.

Molecular Properties

Compound NameN-(4-cyclooctyl-1H-pyrazolo[3,4-b]pyridin-5-yl)cyclononanecarboxamide
PubChem CID146616155
Molecular FormulaC24H36N4O
Molecular Weight396.58 g/mol
Exact Mass396.29
IUPAC NameN-(4-cyclooctyl-1H-pyrazolo[3,4-b]pyridin-5-yl)cyclononanecarboxamide
SMILESO=C(Nc1cnc2[nH]ncc2c1C1CCCCCCC1)C1CCCCCCCC1
InChIInChI=1S/C24H36N4O/c29-24(19-14-10-4-1-2-5-11-15-19)27-21-17-25-23-20(16-26-28-23)22(21)18-12-8-6-3-7-9-13-18/h16-19H,1-15H2,(H,27,29)(H,25,26,28)
InChIKeyCOZWAILVRIKAJJ-UHFFFAOYSA-N
XLogP6.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.58
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide
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N-[4-cyclooctyl-5-(methylamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]cyclooctanecarboxamide
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N-[4-cyclooctyl-5-(methylamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]cyclononanecarboxamide
CID 129310479
N-[5-[(3R)-1-piperidin-1-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
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N-(4-carbamothioyl-1H-pyrazol-5-yl)cyclooctanecarboxamide
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4-(aminomethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)cyclohexane-1-carboxamide;hydrate;dihydrobromide
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N-(1H-pyrazol-5-yl)cyclooctanecarboxamide
CID 65023446
N-(1H-pyrazol-5-yl)cycloheptanecarboxamide
CID 60616368
N-(4-carbamothioyl-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 79503212
N-[4-(cyclooctatetraenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclononanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclooctyl-1H-pyrazolo[3,4-b]pyridin-5-yl)cyclononanecarboxamide?
The IUPAC name of N-(4-cyclooctyl-1H-pyrazolo[3,4-b]pyridin-5-yl)cyclononanecarboxamide (CID 146616155) is N-(4-cyclooctyl-1H-pyrazolo[3,4-b]pyridin-5-yl)cyclononanecarboxamide.
What is the SMILES notation for N-(4-cyclooctyl-1H-pyrazolo[3,4-b]pyridin-5-yl)cyclononanecarboxamide?
The canonical SMILES for N-(4-cyclooctyl-1H-pyrazolo[3,4-b]pyridin-5-yl)cyclononanecarboxamide is O=C(Nc1cnc2[nH]ncc2c1C1CCCCCCC1)C1CCCCCCCC1.
What is the InChIKey of N-(4-cyclooctyl-1H-pyrazolo[3,4-b]pyridin-5-yl)cyclononanecarboxamide?
The InChIKey is COZWAILVRIKAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O/c29-24(19-14-10-4-1-2-5-11-15-19)27-21-17-25-23-20(16-26-28-23)22(21)18-12-8-6-3-7-9-13-18/h16-19H,1-15H2,(H,27,29)(H,25,26,28).
What are the key properties of N-(4-cyclooctyl-1H-pyrazolo[3,4-b]pyridin-5-yl)cyclononanecarboxamide?
N-(4-cyclooctyl-1H-pyrazolo[3,4-b]pyridin-5-yl)cyclononanecarboxamide has a molecular weight of 396.58 g/mol, XLogP of 6.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclooctyl-1H-pyrazolo[3,4-b]pyridin-5-yl)cyclononanecarboxamide is sourced from PubChem (CID 146616155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).