2-cyclopropyl-7-[(3R)-4-[(2R)-2-cyclopropylpropanoyl]-3-methylpiperazin-1-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridine-5-sulfonamide

C28H35F2N7O3S2 — CID 178144498

IUPAC2-cyclopropyl-7-[(3R)-4-[(2R)-2-cyclopropylpropanoyl]-3-methylpiperazin-1-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridine-5-sulfonamide
SMILESC[C@@H]1CN(c2cc(S(=O)(=O)NC3(C)CC3)cc3c(-c4nnc(C(F)F)s4)c(C4CC4)nn23)CCN1C(=O)[C@H](C)C1CC1
InChIInChI=1S/C28H35F2N7O3S2/c1-15-14-35(10-11-36(15)27(38)16(2)17-4-5-17)21-13-19(42(39,40)34-28(3)8-9-28)12-20-22(23(18-6-7-18)33-37(20)21)25-31-32-26(41-25)24(29)30/h12-13,15-18,24,34H,4-11,14H2,1-3H3/t15-,16-/m1/s1
InChIKeyCDLYIHPKHZOEKF-HZPDHXFCSA-N
MW619.76 g/mol
LogP4.58
Rot. Bonds9

About 2-cyclopropyl-7-[(3R)-4-[(2R)-2-cyclopropylpropanoyl]-3-methylpiperazin-1-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridine-5-sulfonamide

2-cyclopropyl-7-[(3R)-4-[(2R)-2-cyclopropylpropanoyl]-3-methylpiperazin-1-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridine-5-sulfonamide (PubChem CID 178144498) has the molecular formula C28H35F2N7O3S2 and a molecular weight of 619.76 g/mol. Its IUPAC name is 2-cyclopropyl-7-[(3R)-4-[(2R)-2-cyclopropylpropanoyl]-3-methylpiperazin-1-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridine-5-sulfonamide.

Molecular Properties

Compound Name2-cyclopropyl-7-[(3R)-4-[(2R)-2-cyclopropylpropanoyl]-3-methylpiperazin-1-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridine-5-sulfonamide
PubChem CID178144498
Molecular FormulaC28H35F2N7O3S2
Molecular Weight619.76 g/mol
Exact Mass619.22
IUPAC Name2-cyclopropyl-7-[(3R)-4-[(2R)-2-cyclopropylpropanoyl]-3-methylpiperazin-1-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridine-5-sulfonamide
SMILESC[C@@H]1CN(c2cc(S(=O)(=O)NC3(C)CC3)cc3c(-c4nnc(C(F)F)s4)c(C4CC4)nn23)CCN1C(=O)[C@H](C)C1CC1
InChIInChI=1S/C28H35F2N7O3S2/c1-15-14-35(10-11-36(15)27(38)16(2)17-4-5-17)21-13-19(42(39,40)34-28(3)8-9-28)12-20-22(23(18-6-7-18)33-37(20)21)25-31-32-26(41-25)24(29)30/h12-13,15-18,24,34H,4-11,14H2,1-3H3/t15-,16-/m1/s1
InChIKeyCDLYIHPKHZOEKF-HZPDHXFCSA-N
XLogP4.58
TPSA112.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500619.76
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-isocyanocyclopropyl)-1-methyl-7-[(3R)-3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide
CID 169045139
N-(1-cyanocyclopropyl)-1-(cyanomethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[(3R)-3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide
CID 168679244
(2R)-4-[3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-[(1-isocyanocyclopropyl)sulfamoyl]-1-methylindazol-7-yl]-N,N,2-trimethylpiperazine-1-carboxamide
CID 169045072
(2S,6S)-4-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-[(1-methylcyclopropyl)sulfamoyl]indazol-4-yl]-2,6-dimethylpiperazine-1-carboxylic acid
CID 170172942
(2S,6S)-4-[3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-[(1-methylcyclopropyl)sulfamoyl]imidazo[1,5-a]pyridin-8-yl]-N-[2-(dimethylamino)ethyl]-N,2,6-trimethylpiperazine-1-carboxamide
CID 178118153
9-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-[1-(2-methoxypropanoyl)piperidin-4-yl]-N-(1-methylcyclopropyl)pyrimido[4,5-b]indole-7-sulfonamide
CID 171460952
8-[(5S)-5-(azetidine-1-carbonyl)-3,3-dimethylpiperazin-1-yl]-2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide
CID 178144811
2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(3S,4S)-4-hydroxy-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide
CID 178144509
3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide
CID 168679157
5-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-[5-(1-fluoroethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-3-(oxolan-2-yl)imidazo[1,5-a]pyridine-7-sulfonamide
CID 178144394
N-(1-cyanocyclopropyl)-3-cyclopropyl-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-[(3S,5S)-3,5-dimethylpiperazin-1-yl]imidazo[1,5-a]pyridine-7-sulfonamide
CID 178144651
N-(1-cyanocyclopropyl)-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-[3-methyl-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]indazole-6-sulfonamide
CID 169038494

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7-[(3R)-4-[(2R)-2-cyclopropylpropanoyl]-3-methylpiperazin-1-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridine-5-sulfonamide?
The IUPAC name of 2-cyclopropyl-7-[(3R)-4-[(2R)-2-cyclopropylpropanoyl]-3-methylpiperazin-1-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridine-5-sulfonamide (CID 178144498) is 2-cyclopropyl-7-[(3R)-4-[(2R)-2-cyclopropylpropanoyl]-3-methylpiperazin-1-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridine-5-sulfonamide.
What is the SMILES notation for 2-cyclopropyl-7-[(3R)-4-[(2R)-2-cyclopropylpropanoyl]-3-methylpiperazin-1-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridine-5-sulfonamide?
The canonical SMILES for 2-cyclopropyl-7-[(3R)-4-[(2R)-2-cyclopropylpropanoyl]-3-methylpiperazin-1-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridine-5-sulfonamide is C[C@@H]1CN(c2cc(S(=O)(=O)NC3(C)CC3)cc3c(-c4nnc(C(F)F)s4)c(C4CC4)nn23)CCN1C(=O)[C@H](C)C1CC1.
What is the InChIKey of 2-cyclopropyl-7-[(3R)-4-[(2R)-2-cyclopropylpropanoyl]-3-methylpiperazin-1-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridine-5-sulfonamide?
The InChIKey is CDLYIHPKHZOEKF-HZPDHXFCSA-N. The full InChI is InChI=1S/C28H35F2N7O3S2/c1-15-14-35(10-11-36(15)27(38)16(2)17-4-5-17)21-13-19(42(39,40)34-28(3)8-9-28)12-20-22(23(18-6-7-18)33-37(20)21)25-31-32-26(41-25)24(29)30/h12-13,15-18,24,34H,4-11,14H2,1-3H3/t15-,16-/m1/s1.
What are the key properties of 2-cyclopropyl-7-[(3R)-4-[(2R)-2-cyclopropylpropanoyl]-3-methylpiperazin-1-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridine-5-sulfonamide?
2-cyclopropyl-7-[(3R)-4-[(2R)-2-cyclopropylpropanoyl]-3-methylpiperazin-1-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridine-5-sulfonamide has a molecular weight of 619.76 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7-[(3R)-4-[(2R)-2-cyclopropylpropanoyl]-3-methylpiperazin-1-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridine-5-sulfonamide is sourced from PubChem (CID 178144498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).