N-[2-[1-[4-[3-cyano-4-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]ethyl]-N-methylmethanesulfonamide

C27H29N5O4S — CID 67551953

IUPACN-[2-[1-[4-[3-cyano-4-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]ethyl]-N-methylmethanesulfonamide
SMILESCOc1ccc(C2CN(c3ccc(C4(CCN(C)S(C)(=O)=O)CC4)cc3)C(=O)c3[nH]nc(C#N)c32)cc1
InChIInChI=1S/C27H29N5O4S/c1-31(37(3,34)35)15-14-27(12-13-27)19-6-8-20(9-7-19)32-17-22(18-4-10-21(36-2)11-5-18)24-23(16-28)29-30-25(24)26(32)33/h4-11,22H,12-15,17H2,1-3H3,(H,29,30)
InChIKeyORYCHVIQHNCITC-UHFFFAOYSA-N
MW519.63 g/mol
LogP3.40
Rot. Bonds8

About N-[2-[1-[4-[3-cyano-4-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]ethyl]-N-methylmethanesulfonamide

N-[2-[1-[4-[3-cyano-4-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]ethyl]-N-methylmethanesulfonamide (PubChem CID 67551953) has the molecular formula C27H29N5O4S and a molecular weight of 519.63 g/mol. Its IUPAC name is N-[2-[1-[4-[3-cyano-4-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]ethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-[4-[3-cyano-4-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]ethyl]-N-methylmethanesulfonamide
PubChem CID67551953
Molecular FormulaC27H29N5O4S
Molecular Weight519.63 g/mol
Exact Mass519.19
IUPAC NameN-[2-[1-[4-[3-cyano-4-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]ethyl]-N-methylmethanesulfonamide
SMILESCOc1ccc(C2CN(c3ccc(C4(CCN(C)S(C)(=O)=O)CC4)cc3)C(=O)c3[nH]nc(C#N)c32)cc1
InChIInChI=1S/C27H29N5O4S/c1-31(37(3,34)35)15-14-27(12-13-27)19-6-8-20(9-7-19)32-17-22(18-4-10-21(36-2)11-5-18)24-23(16-28)29-30-25(24)26(32)33/h4-11,22H,12-15,17H2,1-3H3,(H,29,30)
InChIKeyORYCHVIQHNCITC-UHFFFAOYSA-N
XLogP3.40
TPSA119.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.63
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[1-[4-[3-cyano-4-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]ethyl]-N-methylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxyphenyl)-6-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile
CID 44581363
6-[4-[1-[(dimethylamino)methyl]cyclopropyl]phenyl]-1-(4-methoxyphenyl)-3-methylsulfonyl-3a,4,5,7a-tetrahydropyrazolo[3,4-c]pyridin-7-one
CID 44581390
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113090768
2-[1-(4-methoxyphenyl)cyclopropyl]acetonitrile
CID 58155388
3-[1-(4-methoxyphenyl)-3-methyl-2,4-dioxopyrrolidin-3-yl]propanenitrile
CID 166447318
3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 169418224
4-(4-fluorophenyl)-3,5-bis(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 58045326
4-(bromomethyl)-1-(4-methoxyphenyl)-3,3-dimethylpyrrolidin-2-one
CID 177419892
1-(4-methoxyphenyl)-6-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]-3-(trifluoromethyl)spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-7-one
CID 118137545
5-[4-[1-[[di(propan-2-yl)amino]methyl]cyclopropyl]phenyl]-3-(4-methoxyphenyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one
CID 10457577
(E)-but-2-enedioic acid;2-[1-(4-methoxyphenyl)cyclopentyl]-N,N-dimethylethanamine
CID 70630529
(4S)-4-(4-methoxyphenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile
CID 915496

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[4-[3-cyano-4-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]ethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[1-[4-[3-cyano-4-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]ethyl]-N-methylmethanesulfonamide (CID 67551953) is N-[2-[1-[4-[3-cyano-4-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]ethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[1-[4-[3-cyano-4-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]ethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[1-[4-[3-cyano-4-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]ethyl]-N-methylmethanesulfonamide is COc1ccc(C2CN(c3ccc(C4(CCN(C)S(C)(=O)=O)CC4)cc3)C(=O)c3[nH]nc(C#N)c32)cc1.
What is the InChIKey of N-[2-[1-[4-[3-cyano-4-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]ethyl]-N-methylmethanesulfonamide?
The InChIKey is ORYCHVIQHNCITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O4S/c1-31(37(3,34)35)15-14-27(12-13-27)19-6-8-20(9-7-19)32-17-22(18-4-10-21(36-2)11-5-18)24-23(16-28)29-30-25(24)26(32)33/h4-11,22H,12-15,17H2,1-3H3,(H,29,30).
What are the key properties of N-[2-[1-[4-[3-cyano-4-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]ethyl]-N-methylmethanesulfonamide?
N-[2-[1-[4-[3-cyano-4-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]ethyl]-N-methylmethanesulfonamide has a molecular weight of 519.63 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[4-[3-cyano-4-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]ethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 67551953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).