N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

C27H35F2N7O — CID 155802833

IUPACN-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CC(F)(F)C2)nc1)C1NNC2CCC(c3cncc(CN4CCCCC4)c3)CC21
InChIInChI=1S/C27H35F2N7O/c28-27(29)16-36(17-27)24-7-5-21(14-31-24)32-26(37)25-22-11-19(4-6-23(22)33-34-25)20-10-18(12-30-13-20)15-35-8-2-1-3-9-35/h5,7,10,12-14,19,22-23,25,33-34H,1-4,6,8-9,11,15-17H2,(H,32,37)
InChIKeyHPXMXHWKWBOIIZ-UHFFFAOYSA-N
MW511.62 g/mol
LogP3.29
Rot. Bonds6

About N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (PubChem CID 155802833) has the molecular formula C27H35F2N7O and a molecular weight of 511.62 g/mol. Its IUPAC name is N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
PubChem CID155802833
Molecular FormulaC27H35F2N7O
Molecular Weight511.62 g/mol
Exact Mass511.29
IUPAC NameN-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CC(F)(F)C2)nc1)C1NNC2CCC(c3cncc(CN4CCCCC4)c3)CC21
InChIInChI=1S/C27H35F2N7O/c28-27(29)16-36(17-27)24-7-5-21(14-31-24)32-26(37)25-22-11-19(4-6-23(22)33-34-25)20-10-18(12-30-13-20)15-35-8-2-1-3-9-35/h5,7,10,12-14,19,22-23,25,33-34H,1-4,6,8-9,11,15-17H2,(H,32,37)
InChIKeyHPXMXHWKWBOIIZ-UHFFFAOYSA-N
XLogP3.29
TPSA85.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.62
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide with MolForge

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Related Compounds

N-(6-methoxy-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 155802816
N-(5-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 155802827
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 178190016
N-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 155802874
6-(3,3-difluoroazetidin-1-yl)-N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine
CID 144929264
6-methyl-5-pyridin-3-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 155802872
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450932
N-[6-[4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 42857574
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450820
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
(2R)-6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-methyl-1,2-dihydroquinoline-4-carboxamide
CID 142333341
N-(6-piperidin-1-yl-3-pyridinyl)oxane-4-carboxamide
CID 30179936

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (CID 155802833) is N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is O=C(Nc1ccc(N2CC(F)(F)C2)nc1)C1NNC2CCC(c3cncc(CN4CCCCC4)c3)CC21.
What is the InChIKey of N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The InChIKey is HPXMXHWKWBOIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35F2N7O/c28-27(29)16-36(17-27)24-7-5-21(14-31-24)32-26(37)25-22-11-19(4-6-23(22)33-34-25)20-10-18(12-30-13-20)15-35-8-2-1-3-9-35/h5,7,10,12-14,19,22-23,25,33-34H,1-4,6,8-9,11,15-17H2,(H,32,37).
What are the key properties of N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide has a molecular weight of 511.62 g/mol, XLogP of 3.29, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 155802833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).