6-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-7-chloro-3a,7a-dihydro-3H-1,3-benzoxazol-2-one

C26H25ClN6O2S — CID 167294996

IUPAC6-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-7-chloro-3a,7a-dihydro-3H-1,3-benzoxazol-2-one
SMILESN[C@@H]1c2ccccc2CC12CCN(c1ncc(SC3=C(Cl)C4OC(=O)NC4C=C3)c3nccn13)CC2
InChIInChI=1S/C26H25ClN6O2S/c27-20-18(6-5-17-21(20)35-25(34)31-17)36-19-14-30-24(33-12-9-29-23(19)33)32-10-7-26(8-11-32)13-15-3-1-2-4-16(15)22(26)28/h1-6,9,12,14,17,21-22H,7-8,10-11,13,28H2,(H,31,34)/t17?,21?,22-/m1/s1
InChIKeyYKQIDQHNILTQLX-JHJOLFGTSA-N
MW521.05 g/mol
LogP4.16
Rot. Bonds3

About 6-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-7-chloro-3a,7a-dihydro-3H-1,3-benzoxazol-2-one

6-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-7-chloro-3a,7a-dihydro-3H-1,3-benzoxazol-2-one (PubChem CID 167294996) has the molecular formula C26H25ClN6O2S and a molecular weight of 521.05 g/mol. Its IUPAC name is 6-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-7-chloro-3a,7a-dihydro-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-7-chloro-3a,7a-dihydro-3H-1,3-benzoxazol-2-one
PubChem CID167294996
Molecular FormulaC26H25ClN6O2S
Molecular Weight521.05 g/mol
Exact Mass520.14
IUPAC Name6-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-7-chloro-3a,7a-dihydro-3H-1,3-benzoxazol-2-one
SMILESN[C@@H]1c2ccccc2CC12CCN(c1ncc(SC3=C(Cl)C4OC(=O)NC4C=C3)c3nccn13)CC2
InChIInChI=1S/C26H25ClN6O2S/c27-20-18(6-5-17-21(20)35-25(34)31-17)36-19-14-30-24(33-12-9-29-23(19)33)32-10-7-26(8-11-32)13-15-3-1-2-4-16(15)22(26)28/h1-6,9,12,14,17,21-22H,7-8,10-11,13,28H2,(H,31,34)/t17?,21?,22-/m1/s1
InChIKeyYKQIDQHNILTQLX-JHJOLFGTSA-N
XLogP4.16
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.05
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-7-chloro-3a,7a-dihydro-3H-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-7-chloro-3a,7a-dihydro-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-7-chloro-3a,7a-dihydro-3H-1,3-benzoxazol-2-one (CID 167294996) is 6-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-7-chloro-3a,7a-dihydro-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-7-chloro-3a,7a-dihydro-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-7-chloro-3a,7a-dihydro-3H-1,3-benzoxazol-2-one is N[C@@H]1c2ccccc2CC12CCN(c1ncc(SC3=C(Cl)C4OC(=O)NC4C=C3)c3nccn13)CC2.
What is the InChIKey of 6-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-7-chloro-3a,7a-dihydro-3H-1,3-benzoxazol-2-one?
The InChIKey is YKQIDQHNILTQLX-JHJOLFGTSA-N. The full InChI is InChI=1S/C26H25ClN6O2S/c27-20-18(6-5-17-21(20)35-25(34)31-17)36-19-14-30-24(33-12-9-29-23(19)33)32-10-7-26(8-11-32)13-15-3-1-2-4-16(15)22(26)28/h1-6,9,12,14,17,21-22H,7-8,10-11,13,28H2,(H,31,34)/t17?,21?,22-/m1/s1.
What are the key properties of 6-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-7-chloro-3a,7a-dihydro-3H-1,3-benzoxazol-2-one?
6-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-7-chloro-3a,7a-dihydro-3H-1,3-benzoxazol-2-one has a molecular weight of 521.05 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-7-chloro-3a,7a-dihydro-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 167294996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).