6-fluoro-5-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

C25H35FN8O — CID 156600451

IUPAC6-fluoro-5-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)nc1)C1NNC2CC(F)C(c3cnn(C4CCNCC4)c3)CC21
InChIInChI=1S/C25H35FN8O/c26-21-12-22-20(11-19(21)16-13-29-34(15-16)18-5-7-27-8-6-18)24(32-31-22)25(35)30-17-3-4-23(28-14-17)33-9-1-2-10-33/h3-4,13-15,18-22,24,27,31-32H,1-2,5-12H2,(H,30,35)
InChIKeyAFSCLWFTEYOMTL-UHFFFAOYSA-N
MW482.61 g/mol
LogP2.12
Rot. Bonds5

About 6-fluoro-5-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

6-fluoro-5-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (PubChem CID 156600451) has the molecular formula C25H35FN8O and a molecular weight of 482.61 g/mol. Its IUPAC name is 6-fluoro-5-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-5-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
PubChem CID156600451
Molecular FormulaC25H35FN8O
Molecular Weight482.61 g/mol
Exact Mass482.29
IUPAC Name6-fluoro-5-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)nc1)C1NNC2CC(F)C(c3cnn(C4CCNCC4)c3)CC21
InChIInChI=1S/C25H35FN8O/c26-21-12-22-20(11-19(21)16-13-29-34(15-16)18-5-7-27-8-6-18)24(32-31-22)25(35)30-17-3-4-23(28-14-17)33-9-1-2-10-33/h3-4,13-15,18-22,24,27,31-32H,1-2,5-12H2,(H,30,35)
InChIKeyAFSCLWFTEYOMTL-UHFFFAOYSA-N
XLogP2.12
TPSA99.14 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The IUPAC name of 6-fluoro-5-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (CID 156600451) is 6-fluoro-5-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-fluoro-5-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The canonical SMILES for 6-fluoro-5-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is O=C(Nc1ccc(N2CCCC2)nc1)C1NNC2CC(F)C(c3cnn(C4CCNCC4)c3)CC21.
What is the InChIKey of 6-fluoro-5-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The InChIKey is AFSCLWFTEYOMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35FN8O/c26-21-12-22-20(11-19(21)16-13-29-34(15-16)18-5-7-27-8-6-18)24(32-31-22)25(35)30-17-3-4-23(28-14-17)33-9-1-2-10-33/h3-4,13-15,18-22,24,27,31-32H,1-2,5-12H2,(H,30,35).
What are the key properties of 6-fluoro-5-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
6-fluoro-5-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide has a molecular weight of 482.61 g/mol, XLogP of 2.12, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 156600451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).