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

C22H26ClN5O — CID 118381140

IUPAC5-(5-chloro-3-pyridinyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
SMILESCC(C)CN1CCC(NC(=O)c2n[nH]c3ccc(-c4cncc(Cl)c4)cc23)CC1
InChIInChI=1S/C22H26ClN5O/c1-14(2)13-28-7-5-18(6-8-28)25-22(29)21-19-10-15(3-4-20(19)26-27-21)16-9-17(23)12-24-11-16/h3-4,9-12,14,18H,5-8,13H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyIBWPRGZSZRPGMY-UHFFFAOYSA-N
MW411.94 g/mol
LogP4.13
Rot. Bonds5

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

5-(5-chloro-3-pyridinyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide (PubChem CID 118381140) has the molecular formula C22H26ClN5O and a molecular weight of 411.94 g/mol. Its IUPAC name is 5-(5-chloro-3-pyridinyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-3-pyridinyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
PubChem CID118381140
Molecular FormulaC22H26ClN5O
Molecular Weight411.94 g/mol
Exact Mass411.18
IUPAC Name5-(5-chloro-3-pyridinyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
SMILESCC(C)CN1CCC(NC(=O)c2n[nH]c3ccc(-c4cncc(Cl)c4)cc23)CC1
InChIInChI=1S/C22H26ClN5O/c1-14(2)13-28-7-5-18(6-8-28)25-22(29)21-19-10-15(3-4-20(19)26-27-21)16-9-17(23)12-24-11-16/h3-4,9-12,14,18H,5-8,13H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyIBWPRGZSZRPGMY-UHFFFAOYSA-N
XLogP4.13
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.94
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methylpropyl)piperidin-4-yl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381758
5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118381511
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118381779
5-(5-amino-3-pyridinyl)-N-(1-tert-butylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118382151
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(1-prop-2-ynylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118381541
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
CID 118382252
5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(1-prop-2-ynylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118382048
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118382158
N-[(3S,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 118381227
N-cyclopropyl-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381128
N-cyclohexyl-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382226
N-(1-but-2-ynylpiperidin-4-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381343

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-3-pyridinyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-(5-chloro-3-pyridinyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide (CID 118381140) is 5-(5-chloro-3-pyridinyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(5-chloro-3-pyridinyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(5-chloro-3-pyridinyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide is CC(C)CN1CCC(NC(=O)c2n[nH]c3ccc(-c4cncc(Cl)c4)cc23)CC1.
What is the InChIKey of 5-(5-chloro-3-pyridinyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide?
The InChIKey is IBWPRGZSZRPGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O/c1-14(2)13-28-7-5-18(6-8-28)25-22(29)21-19-10-15(3-4-20(19)26-27-21)16-9-17(23)12-24-11-16/h3-4,9-12,14,18H,5-8,13H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of 5-(5-chloro-3-pyridinyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide?
5-(5-chloro-3-pyridinyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide has a molecular weight of 411.94 g/mol, XLogP of 4.13, 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-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).