N-[6-(methylcarbamoyl)-3-pyridinyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

C24H34N8O2 — CID 156600460

IUPACN-[6-(methylcarbamoyl)-3-pyridinyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)C2NNC3CCC(c4cnn(C5CCN(C)CC5)c4)CC32)cn1
InChIInChI=1S/C24H34N8O2/c1-25-23(33)21-6-4-17(13-26-21)28-24(34)22-19-11-15(3-5-20(19)29-30-22)16-12-27-32(14-16)18-7-9-31(2)10-8-18/h4,6,12-15,18-20,22,29-30H,3,5,7-11H2,1-2H3,(H,25,33)(H,28,34)
InChIKeyJBILIARJNPMJOH-UHFFFAOYSA-N
MW466.59 g/mol
LogP1.27
Rot. Bonds5

About N-[6-(methylcarbamoyl)-3-pyridinyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

N-[6-(methylcarbamoyl)-3-pyridinyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (PubChem CID 156600460) has the molecular formula C24H34N8O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is N-[6-(methylcarbamoyl)-3-pyridinyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(methylcarbamoyl)-3-pyridinyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
PubChem CID156600460
Molecular FormulaC24H34N8O2
Molecular Weight466.59 g/mol
Exact Mass466.28
IUPAC NameN-[6-(methylcarbamoyl)-3-pyridinyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)C2NNC3CCC(c4cnn(C5CCN(C)CC5)c4)CC32)cn1
InChIInChI=1S/C24H34N8O2/c1-25-23(33)21-6-4-17(13-26-21)28-24(34)22-19-11-15(3-5-20(19)29-30-22)16-12-27-32(14-16)18-7-9-31(2)10-8-18/h4,6,12-15,18-20,22,29-30H,3,5,7-11H2,1-2H3,(H,25,33)(H,28,34)
InChIKeyJBILIARJNPMJOH-UHFFFAOYSA-N
XLogP1.27
TPSA116.21 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-(methylcarbamoyl)-3-pyridinyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[6-(methylcarbamoyl)-3-pyridinyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (CID 156600460) is N-[6-(methylcarbamoyl)-3-pyridinyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[6-(methylcarbamoyl)-3-pyridinyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[6-(methylcarbamoyl)-3-pyridinyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is CNC(=O)c1ccc(NC(=O)C2NNC3CCC(c4cnn(C5CCN(C)CC5)c4)CC32)cn1.
What is the InChIKey of N-[6-(methylcarbamoyl)-3-pyridinyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The InChIKey is JBILIARJNPMJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N8O2/c1-25-23(33)21-6-4-17(13-26-21)28-24(34)22-19-11-15(3-5-20(19)29-30-22)16-12-27-32(14-16)18-7-9-31(2)10-8-18/h4,6,12-15,18-20,22,29-30H,3,5,7-11H2,1-2H3,(H,25,33)(H,28,34).
What are the key properties of N-[6-(methylcarbamoyl)-3-pyridinyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
N-[6-(methylcarbamoyl)-3-pyridinyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide has a molecular weight of 466.59 g/mol, XLogP of 1.27, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(methylcarbamoyl)-3-pyridinyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 156600460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).