N-(3,5-difluoro-2-pyridinyl)-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

C18H19F2N5O — CID 155802809

IUPACN-(3,5-difluoro-2-pyridinyl)-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1ncc(F)cc1F)C1NNC2CCC(c3cccnc3)CC21
InChIInChI=1S/C18H19F2N5O/c19-12-7-14(20)17(22-9-12)23-18(26)16-13-6-10(3-4-15(13)24-25-16)11-2-1-5-21-8-11/h1-2,5,7-10,13,15-16,24-25H,3-4,6H2,(H,22,23,26)
InChIKeyIWIHKXRVFXHWTM-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.12
Rot. Bonds3

About N-(3,5-difluoro-2-pyridinyl)-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

N-(3,5-difluoro-2-pyridinyl)-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (PubChem CID 155802809) has the molecular formula C18H19F2N5O and a molecular weight of 359.38 g/mol. Its IUPAC name is N-(3,5-difluoro-2-pyridinyl)-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluoro-2-pyridinyl)-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
PubChem CID155802809
Molecular FormulaC18H19F2N5O
Molecular Weight359.38 g/mol
Exact Mass359.16
IUPAC NameN-(3,5-difluoro-2-pyridinyl)-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1ncc(F)cc1F)C1NNC2CCC(c3cccnc3)CC21
InChIInChI=1S/C18H19F2N5O/c19-12-7-14(20)17(22-9-12)23-18(26)16-13-6-10(3-4-15(13)24-25-16)11-2-1-5-21-8-11/h1-2,5,7-10,13,15-16,24-25H,3-4,6H2,(H,22,23,26)
InChIKeyIWIHKXRVFXHWTM-UHFFFAOYSA-N
XLogP2.12
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-2-pyridinyl)-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-(3,5-difluoro-2-pyridinyl)-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (CID 155802809) is N-(3,5-difluoro-2-pyridinyl)-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(3,5-difluoro-2-pyridinyl)-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-(3,5-difluoro-2-pyridinyl)-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is O=C(Nc1ncc(F)cc1F)C1NNC2CCC(c3cccnc3)CC21.
What is the InChIKey of N-(3,5-difluoro-2-pyridinyl)-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The InChIKey is IWIHKXRVFXHWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O/c19-12-7-14(20)17(22-9-12)23-18(26)16-13-6-10(3-4-15(13)24-25-16)11-2-1-5-21-8-11/h1-2,5,7-10,13,15-16,24-25H,3-4,6H2,(H,22,23,26).
What are the key properties of N-(3,5-difluoro-2-pyridinyl)-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
N-(3,5-difluoro-2-pyridinyl)-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide has a molecular weight of 359.38 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-2-pyridinyl)-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 155802809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).