6-chloro-2-[2-methyl-4-[(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)sulfinyl]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

C30H40ClN5O2S — CID 170952988

IUPAC6-chloro-2-[2-methyl-4-[(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)sulfinyl]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(S(=O)C2CCC3(CC2)CCN(C(C)C)CC3)ccc1Nc1ncc2cc(Cl)c(=O)n(C(C)C)c2n1
InChIInChI=1S/C30H40ClN5O2S/c1-19(2)35-14-12-30(13-15-35)10-8-23(9-11-30)39(38)24-6-7-26(21(5)16-24)33-29-32-18-22-17-25(31)28(37)36(20(3)4)27(22)34-29/h6-7,16-20,23H,8-15H2,1-5H3,(H,32,33,34)
InChIKeyWWNNVASXLIVAIF-UHFFFAOYSA-N
MW570.20 g/mol
LogP6.62
Rot. Bonds6

About 6-chloro-2-[2-methyl-4-[(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)sulfinyl]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

6-chloro-2-[2-methyl-4-[(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)sulfinyl]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 170952988) has the molecular formula C30H40ClN5O2S and a molecular weight of 570.20 g/mol. Its IUPAC name is 6-chloro-2-[2-methyl-4-[(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)sulfinyl]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-chloro-2-[2-methyl-4-[(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)sulfinyl]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID170952988
Molecular FormulaC30H40ClN5O2S
Molecular Weight570.20 g/mol
Exact Mass569.26
IUPAC Name6-chloro-2-[2-methyl-4-[(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)sulfinyl]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(S(=O)C2CCC3(CC2)CCN(C(C)C)CC3)ccc1Nc1ncc2cc(Cl)c(=O)n(C(C)C)c2n1
InChIInChI=1S/C30H40ClN5O2S/c1-19(2)35-14-12-30(13-15-35)10-8-23(9-11-30)39(38)24-6-7-26(21(5)16-24)33-29-32-18-22-17-25(31)28(37)36(20(3)4)27(22)34-29/h6-7,16-20,23H,8-15H2,1-5H3,(H,32,33,34)
InChIKeyWWNNVASXLIVAIF-UHFFFAOYSA-N
XLogP6.62
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.20
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-chloro-2-[2-methyl-4-[(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)sulfinyl]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-8-cyclopentyl-2-[2-methyl-4-[(2-propan-2-yl-2-azaspiro[3.5]nonan-7-yl)sulfinyl]anilino]pyrido[2,3-d]pyrimidin-7-one
CID 171598478
6-chloro-2-(4-ethylsulfinyl-2-methylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 170954436
6-chloro-8-(1-cyclopropylethyl)-2-[2-methyl-4-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)sulfonyl]anilino]pyrido[2,3-d]pyrimidin-7-one
CID 171598714
6-chloro-8-cyclopentyl-2-[2-methyl-4-[(R)-(4-methylcyclohexyl)sulfinyl]anilino]pyrido[2,3-d]pyrimidin-7-one
CID 174316051
6-chloro-8-cyclopentyl-2-[2-methyl-4-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)sulfonyl]anilino]pyrido[2,3-d]pyrimidin-7-one
CID 170953303
6-chloro-2-[2-methyl-4-(methylsulfanylmethyl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 170954194
6-chloro-2-[2-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfinylanilino]-8-spiro[2.4]heptan-7-ylpyrido[2,3-d]pyrimidin-7-one
CID 170953352
6-(difluoromethyl)-2-(4-ethylsulfinyl-2-methylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 170954312
4-[(6-chloro-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N,N,3-trimethylbenzenesulfinamide
CID 170953422
4-[(6-chloro-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N,3-dimethylbenzenesulfinamide;ethane
CID 170952194
6-chloro-2-[2-methyl-4-(2-methyl-4-propan-2-ylpiperidin-1-yl)sulfinylanilino]-8-spiro[2.4]heptan-7-ylpyrido[2,3-d]pyrimidin-7-one
CID 170953838
4-[[6-chloro-8-(3-hydroxy-3-methylbutan-2-yl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-iodo-3-methylbenzenesulfonamide
CID 170954005

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-methyl-4-[(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)sulfinyl]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-chloro-2-[2-methyl-4-[(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)sulfinyl]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 170952988) is 6-chloro-2-[2-methyl-4-[(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)sulfinyl]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-chloro-2-[2-methyl-4-[(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)sulfinyl]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-chloro-2-[2-methyl-4-[(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)sulfinyl]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is Cc1cc(S(=O)C2CCC3(CC2)CCN(C(C)C)CC3)ccc1Nc1ncc2cc(Cl)c(=O)n(C(C)C)c2n1.
What is the InChIKey of 6-chloro-2-[2-methyl-4-[(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)sulfinyl]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WWNNVASXLIVAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40ClN5O2S/c1-19(2)35-14-12-30(13-15-35)10-8-23(9-11-30)39(38)24-6-7-26(21(5)16-24)33-29-32-18-22-17-25(31)28(37)36(20(3)4)27(22)34-29/h6-7,16-20,23H,8-15H2,1-5H3,(H,32,33,34).
What are the key properties of 6-chloro-2-[2-methyl-4-[(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)sulfinyl]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
6-chloro-2-[2-methyl-4-[(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)sulfinyl]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 570.20 g/mol, XLogP of 6.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-methyl-4-[(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)sulfinyl]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 170952988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).