N-[4-[6-chloro-3-(2-piperidin-1-ylethylamino)pyrazolo[4,3-c]pyridin-1-yl]-3-methoxyphenyl]methanesulfonamide

C21H27ClN6O3S — CID 174297737

IUPACN-[4-[6-chloro-3-(2-piperidin-1-ylethylamino)pyrazolo[4,3-c]pyridin-1-yl]-3-methoxyphenyl]methanesulfonamide
SMILESCOc1cc(NS(C)(=O)=O)ccc1-n1nc(NCCN2CCCCC2)c2cnc(Cl)cc21
InChIInChI=1S/C21H27ClN6O3S/c1-31-19-12-15(26-32(2,29)30)6-7-17(19)28-18-13-20(22)24-14-16(18)21(25-28)23-8-11-27-9-4-3-5-10-27/h6-7,12-14,26H,3-5,8-11H2,1-2H3,(H,23,25)
InChIKeyXUVHWBHSLSPGDF-UHFFFAOYSA-N
MW479.01 g/mol
LogP3.35
Rot. Bonds8

About N-[4-[6-chloro-3-(2-piperidin-1-ylethylamino)pyrazolo[4,3-c]pyridin-1-yl]-3-methoxyphenyl]methanesulfonamide

N-[4-[6-chloro-3-(2-piperidin-1-ylethylamino)pyrazolo[4,3-c]pyridin-1-yl]-3-methoxyphenyl]methanesulfonamide (PubChem CID 174297737) has the molecular formula C21H27ClN6O3S and a molecular weight of 479.01 g/mol. Its IUPAC name is N-[4-[6-chloro-3-(2-piperidin-1-ylethylamino)pyrazolo[4,3-c]pyridin-1-yl]-3-methoxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[6-chloro-3-(2-piperidin-1-ylethylamino)pyrazolo[4,3-c]pyridin-1-yl]-3-methoxyphenyl]methanesulfonamide
PubChem CID174297737
Molecular FormulaC21H27ClN6O3S
Molecular Weight479.01 g/mol
Exact Mass478.16
IUPAC NameN-[4-[6-chloro-3-(2-piperidin-1-ylethylamino)pyrazolo[4,3-c]pyridin-1-yl]-3-methoxyphenyl]methanesulfonamide
SMILESCOc1cc(NS(C)(=O)=O)ccc1-n1nc(NCCN2CCCCC2)c2cnc(Cl)cc21
InChIInChI=1S/C21H27ClN6O3S/c1-31-19-12-15(26-32(2,29)30)6-7-17(19)28-18-13-20(22)24-14-16(18)21(25-28)23-8-11-27-9-4-3-5-10-27/h6-7,12-14,26H,3-5,8-11H2,1-2H3,(H,23,25)
InChIKeyXUVHWBHSLSPGDF-UHFFFAOYSA-N
XLogP3.35
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.01
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[3-methoxy-4-[3-(2-piperidin-1-ylethylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl]phenyl]methanesulfonamide
CID 169275520
ethyl 6-chloro-1-[4-(methanesulfonamido)-2-methoxyphenyl]pyrazolo[4,3-c]pyridine-3-carboxylate
CID 165125959
7-[6-chloro-3-[2-(4-methylpiperazin-1-yl)ethylamino]pyrazolo[4,3-c]pyridin-1-yl]-6-methoxy-4H-1,4-benzothiazin-3-one
CID 176901372
N-[4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-methoxyphenyl]cyclopropanesulfonamide
CID 174297669
4-[6-chloro-3-[3-(dimethylamino)propylamino]pyrazolo[4,3-c]pyridin-1-yl]-3-methoxy-N-methylbenzenesulfonamide
CID 174297762
N-[[2-chloro-5-methoxy-4-[3-(2-morpholin-4-ylethylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl]phenyl]methyl]methanesulfonamide
CID 170648103
3-chloro-4-methoxy-N-(2-piperidin-1-ylethyl)aniline
CID 54806952
3,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline
CID 82093802
N-[2-(azepan-1-yl)ethyl]-3-methoxy-4-nitroaniline
CID 63672136
tert-butyl 7-[3-(2-aminoethoxycarbonylamino)-6-chloropyrazolo[4,3-c]pyridin-1-yl]-6-methoxy-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 171065254
3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 114598848
3-chloro-4-methyl-N-(2-piperidin-1-ylethyl)aniline
CID 54807377

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-chloro-3-(2-piperidin-1-ylethylamino)pyrazolo[4,3-c]pyridin-1-yl]-3-methoxyphenyl]methanesulfonamide?
The IUPAC name of N-[4-[6-chloro-3-(2-piperidin-1-ylethylamino)pyrazolo[4,3-c]pyridin-1-yl]-3-methoxyphenyl]methanesulfonamide (CID 174297737) is N-[4-[6-chloro-3-(2-piperidin-1-ylethylamino)pyrazolo[4,3-c]pyridin-1-yl]-3-methoxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[6-chloro-3-(2-piperidin-1-ylethylamino)pyrazolo[4,3-c]pyridin-1-yl]-3-methoxyphenyl]methanesulfonamide?
The canonical SMILES for N-[4-[6-chloro-3-(2-piperidin-1-ylethylamino)pyrazolo[4,3-c]pyridin-1-yl]-3-methoxyphenyl]methanesulfonamide is COc1cc(NS(C)(=O)=O)ccc1-n1nc(NCCN2CCCCC2)c2cnc(Cl)cc21.
What is the InChIKey of N-[4-[6-chloro-3-(2-piperidin-1-ylethylamino)pyrazolo[4,3-c]pyridin-1-yl]-3-methoxyphenyl]methanesulfonamide?
The InChIKey is XUVHWBHSLSPGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN6O3S/c1-31-19-12-15(26-32(2,29)30)6-7-17(19)28-18-13-20(22)24-14-16(18)21(25-28)23-8-11-27-9-4-3-5-10-27/h6-7,12-14,26H,3-5,8-11H2,1-2H3,(H,23,25).
What are the key properties of N-[4-[6-chloro-3-(2-piperidin-1-ylethylamino)pyrazolo[4,3-c]pyridin-1-yl]-3-methoxyphenyl]methanesulfonamide?
N-[4-[6-chloro-3-(2-piperidin-1-ylethylamino)pyrazolo[4,3-c]pyridin-1-yl]-3-methoxyphenyl]methanesulfonamide has a molecular weight of 479.01 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-chloro-3-(2-piperidin-1-ylethylamino)pyrazolo[4,3-c]pyridin-1-yl]-3-methoxyphenyl]methanesulfonamide is sourced from PubChem (CID 174297737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).