5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide

C22H25ClFN5O — CID 118381076

IUPAC5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
SMILESCC(C)(F)CN1CCC(NC(=O)c2n[nH]c3ccc(-c4cncc(Cl)c4)cc23)CC1
InChIInChI=1S/C22H25ClFN5O/c1-22(2,24)13-29-7-5-17(6-8-29)26-21(30)20-18-10-14(3-4-19(18)27-28-20)15-9-16(23)12-25-11-15/h3-4,9-12,17H,5-8,13H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyASSRYFKQYOVIGD-UHFFFAOYSA-N
MW429.93 g/mol
LogP4.22
Rot. Bonds5

About 5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide

5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide (PubChem CID 118381076) has the molecular formula C22H25ClFN5O and a molecular weight of 429.93 g/mol. Its IUPAC name is 5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
PubChem CID118381076
Molecular FormulaC22H25ClFN5O
Molecular Weight429.93 g/mol
Exact Mass429.17
IUPAC Name5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
SMILESCC(C)(F)CN1CCC(NC(=O)c2n[nH]c3ccc(-c4cncc(Cl)c4)cc23)CC1
InChIInChI=1S/C22H25ClFN5O/c1-22(2,24)13-29-7-5-17(6-8-29)26-21(30)20-18-10-14(3-4-19(18)27-28-20)15-9-16(23)12-25-11-15/h3-4,9-12,17H,5-8,13H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyASSRYFKQYOVIGD-UHFFFAOYSA-N
XLogP4.22
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide with MolForge

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Related Compounds

Factor D inhibitor 6
CID 68283608
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N-(5,6-dichloro-3-pyridinyl)-1H-indazole-5-carboxamide
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Nalpha-{4-[4-(5-Chloro-2-Methylphenyl)piperazin-1-Yl]-2-Fluorobenzoyl}-N-Pyridin-4-Yl-D-Tryptophanamide
CID 86278574
N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
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N-(5-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381061
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CID 21252903
N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-fluoropyridine-3-carboxamide
CID 56659488
5-chloro-N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyridine-3-carboxamide
CID 56659489
N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-methylpyridine-3-carboxamide
CID 56669838
(3-Chloropyrazolo[1,5-a]pyridin-2-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
CID 57394859

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide (CID 118381076) is 5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide is CC(C)(F)CN1CCC(NC(=O)c2n[nH]c3ccc(-c4cncc(Cl)c4)cc23)CC1.
What is the InChIKey of 5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide?
The InChIKey is ASSRYFKQYOVIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN5O/c1-22(2,24)13-29-7-5-17(6-8-29)26-21(30)20-18-10-14(3-4-19(18)27-28-20)15-9-16(23)12-25-11-15/h3-4,9-12,17H,5-8,13H2,1-2H3,(H,26,30)(H,27,28).
What are the key properties of 5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide?
5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide has a molecular weight of 429.93 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).