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

C26H24ClN7S — CID 170431000

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

(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-5-ethynylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 170431000) has the molecular formula C26H24ClN7S and a molecular weight of 502.05 g/mol. Its IUPAC name is (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-5-ethynylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

• Compound Name: (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-5-ethynylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• PubChem CID: 170431000
• Molecular Formula: C26H24ClN7S
• Molecular Weight: 502.05 g/mol
• Exact Mass: 501.15
• IUPAC Name: (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-5-ethynylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• SMILES: C#Cc1ccc2c(c1)CC1(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4nccn34)CC1)[C@@H]2N
• InChI: InChI=1S/C26H24ClN7S/c1-2-16-3-4-18-17(13-16)14-26(22(18)28)6-10-33(11-7-26)25-32-15-20(24-31-9-12-34(24)25)35-19-5-8-30-23(29)21(19)27/h1,3-5,8-9,12-13,15,22H,6-7,10-11,14,28H2,(H2,29,30)/t22-/m1/s1
• InChIKey: XBEIKOPZKKWNRO-JOCHJYFZSA-N
• XLogP: 4.34
• TPSA: 98.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.05
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-5-ethynylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 170431000) is (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-5-ethynylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

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

The canonical SMILES for (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-5-ethynylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is C#Cc1ccc2c(c1)CC1(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4nccn34)CC1)[C@@H]2N.

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

The InChIKey is XBEIKOPZKKWNRO-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H24ClN7S/c1-2-16-3-4-18-17(13-16)14-26(22(18)28)6-10-33(11-7-26)25-32-15-20(24-31-9-12-34(24)25)35-19-5-8-30-23(29)21(19)27/h1,3-5,8-9,12-13,15,22H,6-7,10-11,14,28H2,(H2,29,30)/t22-/m1/s1.

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

(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-5-ethynylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 502.05 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-5-ethynylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 170431000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).