6-[2-[6-(difluoromethyl)-7-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7H-pyrido[2,3-d]pyrimidin-8-yl]ethylamino]-1H-indole-2-sulfonyl chloride

C24H28ClF2N7O5S2 — CID 167189831

IUPAC6-[2-[6-(difluoromethyl)-7-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7H-pyrido[2,3-d]pyrimidin-8-yl]ethylamino]-1H-indole-2-sulfonyl chloride
SMILESCS(=O)(=O)N1CCC(Nc2ncc3c(n2)N(CCNc2ccc4cc(S(=O)(=O)Cl)[nH]c4c2)C(O)C(C(F)F)=C3)CC1
InChIInChI=1S/C24H28ClF2N7O5S2/c1-40(36,37)33-7-4-16(5-8-33)30-24-29-13-15-10-18(21(26)27)23(35)34(22(15)32-24)9-6-28-17-3-2-14-11-20(41(25,38)39)31-19(14)12-17/h2-3,10-13,16,21,23,28,31,35H,4-9H2,1H3,(H,29,30,32)
InChIKeyWGEYGCSSMJZKOT-UHFFFAOYSA-N
MW632.12 g/mol
LogP2.62
Rot. Bonds9

About 6-[2-[6-(difluoromethyl)-7-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7H-pyrido[2,3-d]pyrimidin-8-yl]ethylamino]-1H-indole-2-sulfonyl chloride

6-[2-[6-(difluoromethyl)-7-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7H-pyrido[2,3-d]pyrimidin-8-yl]ethylamino]-1H-indole-2-sulfonyl chloride (PubChem CID 167189831) has the molecular formula C24H28ClF2N7O5S2 and a molecular weight of 632.12 g/mol. Its IUPAC name is 6-[2-[6-(difluoromethyl)-7-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7H-pyrido[2,3-d]pyrimidin-8-yl]ethylamino]-1H-indole-2-sulfonyl chloride.

Molecular Properties

Compound Name6-[2-[6-(difluoromethyl)-7-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7H-pyrido[2,3-d]pyrimidin-8-yl]ethylamino]-1H-indole-2-sulfonyl chloride
PubChem CID167189831
Molecular FormulaC24H28ClF2N7O5S2
Molecular Weight632.12 g/mol
Exact Mass631.12
IUPAC Name6-[2-[6-(difluoromethyl)-7-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7H-pyrido[2,3-d]pyrimidin-8-yl]ethylamino]-1H-indole-2-sulfonyl chloride
SMILESCS(=O)(=O)N1CCC(Nc2ncc3c(n2)N(CCNc2ccc4cc(S(=O)(=O)Cl)[nH]c4c2)C(O)C(C(F)F)=C3)CC1
InChIInChI=1S/C24H28ClF2N7O5S2/c1-40(36,37)33-7-4-16(5-8-33)30-24-29-13-15-10-18(21(26)27)23(35)34(22(15)32-24)9-6-28-17-3-2-14-11-20(41(25,38)39)31-19(14)12-17/h2-3,10-13,16,21,23,28,31,35H,4-9H2,1H3,(H,29,30,32)
InChIKeyWGEYGCSSMJZKOT-UHFFFAOYSA-N
XLogP2.62
TPSA160.62 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500632.12
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 6-[2-[6-(difluoromethyl)-7-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7H-pyrido[2,3-d]pyrimidin-8-yl]ethylamino]-1H-indole-2-sulfonyl chloride with MolForge

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Related Compounds

6-(difluoromethyl)-8-ethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 167189811
8-[[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7H-pyrido[2,3-d]pyrimidin-7-ol
CID 164925539
5-chloro-4-N-(3-methoxyphenyl)-2-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 118709980
8-(5,5-difluoro-2,8-diazaspiro[3.5]nonan-2-yl)-6-(difluoromethyl)-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 170686778
[5-[5-chloro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]methanol
CID 167193691
N-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-2-amine
CID 175728686
N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-4-trimethylstannylpyrimidin-2-amine
CID 171468969
4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonyl chloride
CID 164557559
5-[[4-ethoxy-6-[(1-methylsulfonylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one
CID 67015901
6-chloro-8-[(1S,3S)-3-hydroxycyclopentyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 134253128
1-[6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]piperidin-4-ol
CID 170740332
4-deuterio-N-(1-methylsulfonylpiperidin-4-yl)-1-propan-2-yltriazolo[4,5-h]quinazolin-8-amine
CID 170542218

Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-(difluoromethyl)-7-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7H-pyrido[2,3-d]pyrimidin-8-yl]ethylamino]-1H-indole-2-sulfonyl chloride?
The IUPAC name of 6-[2-[6-(difluoromethyl)-7-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7H-pyrido[2,3-d]pyrimidin-8-yl]ethylamino]-1H-indole-2-sulfonyl chloride (CID 167189831) is 6-[2-[6-(difluoromethyl)-7-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7H-pyrido[2,3-d]pyrimidin-8-yl]ethylamino]-1H-indole-2-sulfonyl chloride.
What is the SMILES notation for 6-[2-[6-(difluoromethyl)-7-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7H-pyrido[2,3-d]pyrimidin-8-yl]ethylamino]-1H-indole-2-sulfonyl chloride?
The canonical SMILES for 6-[2-[6-(difluoromethyl)-7-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7H-pyrido[2,3-d]pyrimidin-8-yl]ethylamino]-1H-indole-2-sulfonyl chloride is CS(=O)(=O)N1CCC(Nc2ncc3c(n2)N(CCNc2ccc4cc(S(=O)(=O)Cl)[nH]c4c2)C(O)C(C(F)F)=C3)CC1.
What is the InChIKey of 6-[2-[6-(difluoromethyl)-7-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7H-pyrido[2,3-d]pyrimidin-8-yl]ethylamino]-1H-indole-2-sulfonyl chloride?
The InChIKey is WGEYGCSSMJZKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClF2N7O5S2/c1-40(36,37)33-7-4-16(5-8-33)30-24-29-13-15-10-18(21(26)27)23(35)34(22(15)32-24)9-6-28-17-3-2-14-11-20(41(25,38)39)31-19(14)12-17/h2-3,10-13,16,21,23,28,31,35H,4-9H2,1H3,(H,29,30,32).
What are the key properties of 6-[2-[6-(difluoromethyl)-7-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7H-pyrido[2,3-d]pyrimidin-8-yl]ethylamino]-1H-indole-2-sulfonyl chloride?
6-[2-[6-(difluoromethyl)-7-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7H-pyrido[2,3-d]pyrimidin-8-yl]ethylamino]-1H-indole-2-sulfonyl chloride has a molecular weight of 632.12 g/mol, XLogP of 2.62, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[6-(difluoromethyl)-7-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7H-pyrido[2,3-d]pyrimidin-8-yl]ethylamino]-1H-indole-2-sulfonyl chloride is sourced from PubChem (CID 167189831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).