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

C30H38ClN5O2S — CID 171598478

About 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

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 (PubChem CID 171598478) has the molecular formula C30H38ClN5O2S and a molecular weight of 568.19 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 171598478
• Molecular Formula: C30H38ClN5O2S
• Molecular Weight: 568.19 g/mol
• Exact Mass: 567.24
• IUPAC Name: 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
• SMILES: Cc1cc(S(=O)C2CCC3(CC2)CN(C(C)C)C3)ccc1Nc1ncc2cc(Cl)c(=O)n(C3CCCC3)c2n1
• InChI: InChI=1S/C30H38ClN5O2S/c1-19(2)35-17-30(18-35)12-10-23(11-13-30)39(38)24-8-9-26(20(3)14-24)33-29-32-16-21-15-25(31)28(37)36(27(21)34-29)22-6-4-5-7-22/h8-9,14-16,19,22-23H,4-7,10-13,17-18H2,1-3H3,(H,32,33,34)
• InChIKey: RSZKMWJFWCZZMC-UHFFFAOYSA-N
• XLogP: 6.37
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.19
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1cc(S(=O)C2CCC3(CC2)CN(C(C)C)C3)ccc1Nc1ncc2cc(Cl)c(=O)n(C3CCCC3)c2n1.

What is the InChIKey of 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?

The InChIKey is RSZKMWJFWCZZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38ClN5O2S/c1-19(2)35-17-30(18-35)12-10-23(11-13-30)39(38)24-8-9-26(20(3)14-24)33-29-32-16-21-15-25(31)28(37)36(27(21)34-29)22-6-4-5-7-22/h8-9,14-16,19,22-23H,4-7,10-13,17-18H2,1-3H3,(H,32,33,34).

What are the key properties of 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?

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 has a molecular weight of 568.19 g/mol, XLogP of 6.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 171598478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).