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

C26H27ClFN7S — CID 164967856

IUPAC(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESCc1cc2c(cc1F)CC1(CCN(c3nc(C)c(Sc4ccnc(N)c4Cl)c4nccn34)CC1)[C@@H]2N
InChIInChI=1S/C26H27ClFN7S/c1-14-11-17-16(12-18(14)28)13-26(22(17)29)4-8-34(9-5-26)25-33-15(2)21(24-32-7-10-35(24)25)36-19-3-6-31-23(30)20(19)27/h3,6-7,10-12,22H,4-5,8-9,13,29H2,1-2H3,(H2,30,31)/t22-/m1/s1
InChIKeyQOLCQZKQZQHOFV-JOCHJYFZSA-N
MW524.07 g/mol
LogP5.11
Rot. Bonds3

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

(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 164967856) has the molecular formula C26H27ClFN7S and a molecular weight of 524.07 g/mol. Its IUPAC name is (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID164967856
Molecular FormulaC26H27ClFN7S
Molecular Weight524.07 g/mol
Exact Mass523.17
IUPAC Name(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESCc1cc2c(cc1F)CC1(CCN(c3nc(C)c(Sc4ccnc(N)c4Cl)c4nccn34)CC1)[C@@H]2N
InChIInChI=1S/C26H27ClFN7S/c1-14-11-17-16(12-18(14)28)13-26(22(17)29)4-8-34(9-5-26)25-33-15(2)21(24-32-7-10-35(24)25)36-19-3-6-31-23(30)20(19)27/h3,6-7,10-12,22H,4-5,8-9,13,29H2,1-2H3,(H2,30,31)/t22-/m1/s1
InChIKeyQOLCQZKQZQHOFV-JOCHJYFZSA-N
XLogP5.11
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.07
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 164967856) is (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is Cc1cc2c(cc1F)CC1(CCN(c3nc(C)c(Sc4ccnc(N)c4Cl)c4nccn34)CC1)[C@@H]2N.
What is the InChIKey of (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is QOLCQZKQZQHOFV-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H27ClFN7S/c1-14-11-17-16(12-18(14)28)13-26(22(17)29)4-8-34(9-5-26)25-33-15(2)21(24-32-7-10-35(24)25)36-19-3-6-31-23(30)20(19)27/h3,6-7,10-12,22H,4-5,8-9,13,29H2,1-2H3,(H2,30,31)/t22-/m1/s1.
What are the key properties of (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 524.07 g/mol, XLogP of 5.11, 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]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluoro-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 164967856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).