(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C27H30ClN7OS — CID 151657481

About (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 151657481) has the molecular formula C27H30ClN7OS and a molecular weight of 536.11 g/mol. Its IUPAC name is (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

• Compound Name: (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• PubChem CID: 151657481
• Molecular Formula: C27H30ClN7OS
• Molecular Weight: 536.11 g/mol
• Exact Mass: 535.19
• IUPAC Name: (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• SMILES: COc1ccc2c(c1)[C@@H](N)C1(CCN(c3nc(C)c(Sc4ccnc(N)c4Cl)c4nc(C)cn34)CC1)C2
• InChI: InChI=1S/C27H30ClN7OS/c1-15-14-35-25(32-15)22(37-20-6-9-31-24(30)21(20)28)16(2)33-26(35)34-10-7-27(8-11-34)13-17-4-5-18(36-3)12-19(17)23(27)29/h4-6,9,12,14,23H,7-8,10-11,13,29H2,1-3H3,(H2,30,31)/t23-/m1/s1
• InChIKey: QVUXUGXPIQBECS-HSZRJFAPSA-N
• XLogP: 4.98
• TPSA: 107.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.11
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The IUPAC name of (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 151657481) is (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

What is the SMILES notation for (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The canonical SMILES for (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is COc1ccc2c(c1)[C@@H](N)C1(CCN(c3nc(C)c(Sc4ccnc(N)c4Cl)c4nc(C)cn34)CC1)C2.

What is the InChIKey of (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The InChIKey is QVUXUGXPIQBECS-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H30ClN7OS/c1-15-14-35-25(32-15)22(37-20-6-9-31-24(30)21(20)28)16(2)33-26(35)34-10-7-27(8-11-34)13-17-4-5-18(36-3)12-19(17)23(27)29/h4-6,9,12,14,23H,7-8,10-11,13,29H2,1-3H3,(H2,30,31)/t23-/m1/s1.

What are the key properties of (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 536.11 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 151657481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).