(R)-N-[(5S)-1'-[4-amino-6-cyano-5-(2,3-dichlorophenyl)pyrimidin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide

C27H29Cl2N7OS — CID 162434355

About (R)-N-[(5S)-1'-[4-amino-6-cyano-5-(2,3-dichlorophenyl)pyrimidin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(5S)-1'-[4-amino-6-cyano-5-(2,3-dichlorophenyl)pyrimidin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide (PubChem CID 162434355) has the molecular formula C27H29Cl2N7OS and a molecular weight of 570.55 g/mol. Its IUPAC name is (R)-N-[(5S)-1'-[4-amino-6-cyano-5-(2,3-dichlorophenyl)pyrimidin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: (R)-N-[(5S)-1'-[4-amino-6-cyano-5-(2,3-dichlorophenyl)pyrimidin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide
• PubChem CID: 162434355
• Molecular Formula: C27H29Cl2N7OS
• Molecular Weight: 570.55 g/mol
• Exact Mass: 569.15
• IUPAC Name: (R)-N-[(5S)-1'-[4-amino-6-cyano-5-(2,3-dichlorophenyl)pyrimidin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide
• SMILES: CC(C)(C)[S@@](=O)N[C@@H]1c2cccnc2CC12CCN(c1nc(N)c(-c3cccc(Cl)c3Cl)c(C#N)n1)CC2
• InChI: InChI=1S/C27H29Cl2N7OS/c1-26(2,3)38(37)35-23-16-7-5-11-32-19(16)14-27(23)9-12-36(13-10-27)25-33-20(15-30)21(24(31)34-25)17-6-4-8-18(28)22(17)29/h4-8,11,23,35H,9-10,12-14H2,1-3H3,(H2,31,33,34)/t23-,38-/m1/s1
• InChIKey: UWPUXENCKGKIKP-CCPAGJRDSA-N
• XLogP: 5.24
• TPSA: 120.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.55
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(5S)-1'-[4-amino-6-cyano-5-(2,3-dichlorophenyl)pyrimidin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide?

The IUPAC name of (R)-N-[(5S)-1'-[4-amino-6-cyano-5-(2,3-dichlorophenyl)pyrimidin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide (CID 162434355) is (R)-N-[(5S)-1'-[4-amino-6-cyano-5-(2,3-dichlorophenyl)pyrimidin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for (R)-N-[(5S)-1'-[4-amino-6-cyano-5-(2,3-dichlorophenyl)pyrimidin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide?

The canonical SMILES for (R)-N-[(5S)-1'-[4-amino-6-cyano-5-(2,3-dichlorophenyl)pyrimidin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@@H]1c2cccnc2CC12CCN(c1nc(N)c(-c3cccc(Cl)c3Cl)c(C#N)n1)CC2.

What is the InChIKey of (R)-N-[(5S)-1'-[4-amino-6-cyano-5-(2,3-dichlorophenyl)pyrimidin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide?

The InChIKey is UWPUXENCKGKIKP-CCPAGJRDSA-N. The full InChI is InChI=1S/C27H29Cl2N7OS/c1-26(2,3)38(37)35-23-16-7-5-11-32-19(16)14-27(23)9-12-36(13-10-27)25-33-20(15-30)21(24(31)34-25)17-6-4-8-18(28)22(17)29/h4-8,11,23,35H,9-10,12-14H2,1-3H3,(H2,31,33,34)/t23-,38-/m1/s1.

What are the key properties of (R)-N-[(5S)-1'-[4-amino-6-cyano-5-(2,3-dichlorophenyl)pyrimidin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide?

(R)-N-[(5S)-1'-[4-amino-6-cyano-5-(2,3-dichlorophenyl)pyrimidin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 570.55 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-N-[(5S)-1'-[4-amino-6-cyano-5-(2,3-dichlorophenyl)pyrimidin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 162434355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).