N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride

C20H32ClN5O3S — CID 21252888

IUPACN-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride
SMILESCC(C)n1nc(C(=O)NCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc21.Cl
InChIInChI=1S/C20H31N5O3S.ClH/c1-15(2)25-18-7-5-4-6-17(18)19(23-25)20(26)21-14-16-8-11-24(12-9-16)13-10-22-29(3,27)28;/h4-7,15-16,22H,8-14H2,1-3H3,(H,21,26);1H
InChIKeyPWUGNONLYJKVEL-UHFFFAOYSA-N
MW458.03 g/mol
LogP2.03
Rot. Bonds8

About N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride

N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride (PubChem CID 21252888) has the molecular formula C20H32ClN5O3S and a molecular weight of 458.03 g/mol. Its IUPAC name is N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride
PubChem CID21252888
Molecular FormulaC20H32ClN5O3S
Molecular Weight458.03 g/mol
Exact Mass457.19
IUPAC NameN-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride
SMILESCC(C)n1nc(C(=O)NCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc21.Cl
InChIInChI=1S/C20H31N5O3S.ClH/c1-15(2)25-18-7-5-4-6-17(18)19(23-25)20(26)21-14-16-8-11-24(12-9-16)13-10-22-29(3,27)28;/h4-7,15-16,22H,8-14H2,1-3H3,(H,21,26);1H
InChIKeyPWUGNONLYJKVEL-UHFFFAOYSA-N
XLogP2.03
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.03
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride (CID 21252888) is N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride is CC(C)n1nc(C(=O)NCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc21.Cl.
What is the InChIKey of N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride?
The InChIKey is PWUGNONLYJKVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O3S.ClH/c1-15(2)25-18-7-5-4-6-17(18)19(23-25)20(26)21-14-16-8-11-24(12-9-16)13-10-22-29(3,27)28;/h4-7,15-16,22H,8-14H2,1-3H3,(H,21,26);1H.
What are the key properties of N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride?
N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride has a molecular weight of 458.03 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 21252888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).