[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol

C24H25ClN8O2S — CID 164743525

About [8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol

[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol (PubChem CID 164743525) has the molecular formula C24H25ClN8O2S and a molecular weight of 525.04 g/mol. Its IUPAC name is [8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol.

Molecular Properties

• Compound Name: [8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol
• PubChem CID: 164743525
• Molecular Formula: C24H25ClN8O2S
• Molecular Weight: 525.04 g/mol
• Exact Mass: 524.15
• IUPAC Name: [8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol
• SMILES: Cc1nc(N2CCC3(CC2)Oc2cnccc2C3N)n2c(CO)cnc2c1Sc1ccnc(N)c1Cl
• InChI: InChI=1S/C24H25ClN8O2S/c1-13-19(36-17-3-7-29-21(27)18(17)25)22-30-10-14(12-34)33(22)23(31-13)32-8-4-24(5-9-32)20(26)15-2-6-28-11-16(15)35-24/h2-3,6-7,10-11,20,34H,4-5,8-9,12,26H2,1H3,(H2,27,29)
• InChIKey: KEOVZEXOYXCQDM-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 140.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.04
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of [8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol?

The IUPAC name of [8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol (CID 164743525) is [8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol.

What is the SMILES notation for [8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol?

The canonical SMILES for [8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol is Cc1nc(N2CCC3(CC2)Oc2cnccc2C3N)n2c(CO)cnc2c1Sc1ccnc(N)c1Cl.

What is the InChIKey of [8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol?

The InChIKey is KEOVZEXOYXCQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN8O2S/c1-13-19(36-17-3-7-29-21(27)18(17)25)22-30-10-14(12-34)33(22)23(31-13)32-8-4-24(5-9-32)20(26)15-2-6-28-11-16(15)35-24/h2-3,6-7,10-11,20,34H,4-5,8-9,12,26H2,1H3,(H2,27,29).

What are the key properties of [8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol?

[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol has a molecular weight of 525.04 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-(3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol is sourced from PubChem (CID 164743525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).