1-propan-2-yl-N-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride

C24H32ClN5O — CID 21252903

IUPAC1-propan-2-yl-N-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
SMILESCC(C)n1nc(C(=O)NCC2CCN(CCc3ccccn3)CC2)c2ccccc21.Cl
InChIInChI=1S/C24H31N5O.ClH/c1-18(2)29-22-9-4-3-8-21(22)23(27-29)24(30)26-17-19-10-14-28(15-11-19)16-12-20-7-5-6-13-25-20;/h3-9,13,18-19H,10-12,14-17H2,1-2H3,(H,26,30);1H
InChIKeyPRYNGBWWKDSBAP-UHFFFAOYSA-N
MW442.01 g/mol
LogP4.12
Rot. Bonds7

About 1-propan-2-yl-N-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride

1-propan-2-yl-N-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride (PubChem CID 21252903) has the molecular formula C24H32ClN5O and a molecular weight of 442.01 g/mol. Its IUPAC name is 1-propan-2-yl-N-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-propan-2-yl-N-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
PubChem CID21252903
Molecular FormulaC24H32ClN5O
Molecular Weight442.01 g/mol
Exact Mass441.23
IUPAC Name1-propan-2-yl-N-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
SMILESCC(C)n1nc(C(=O)NCC2CCN(CCc3ccccn3)CC2)c2ccccc21.Cl
InChIInChI=1S/C24H31N5O.ClH/c1-18(2)29-22-9-4-3-8-21(22)23(27-29)24(30)26-17-19-10-14-28(15-11-19)16-12-20-7-5-6-13-25-20;/h3-9,13,18-19H,10-12,14-17H2,1-2H3,(H,26,30);1H
InChIKeyPRYNGBWWKDSBAP-UHFFFAOYSA-N
XLogP4.12
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.01
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-propan-2-yl-N-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride (CID 21252903) is 1-propan-2-yl-N-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-propan-2-yl-N-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-propan-2-yl-N-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride is CC(C)n1nc(C(=O)NCC2CCN(CCc3ccccn3)CC2)c2ccccc21.Cl.
What is the InChIKey of 1-propan-2-yl-N-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride?
The InChIKey is PRYNGBWWKDSBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O.ClH/c1-18(2)29-22-9-4-3-8-21(22)23(27-29)24(30)26-17-19-10-14-28(15-11-19)16-12-20-7-5-6-13-25-20;/h3-9,13,18-19H,10-12,14-17H2,1-2H3,(H,26,30);1H.
What are the key properties of 1-propan-2-yl-N-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride?
1-propan-2-yl-N-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride has a molecular weight of 442.01 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 21252903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).