(4S)-1'-[3-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine

C23H24ClN7 — CID 171471279

IUPAC(4S)-1'-[3-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine
SMILESCc1c(Cl)cccc1-c1ncc2c(N3CCC4(CC3)Cn3nccc3[C@H]4N)nccn12
InChIInChI=1S/C23H24ClN7/c1-15-16(3-2-4-17(15)24)21-27-13-19-22(26-9-12-30(19)21)29-10-6-23(7-11-29)14-31-18(20(23)25)5-8-28-31/h2-5,8-9,12-13,20H,6-7,10-11,14,25H2,1H3/t20-/m1/s1
InChIKeyZONYRMUQLVGEFQ-HXUWFJFHSA-N
MW433.95 g/mol
LogP3.85
Rot. Bonds2

About (4S)-1'-[3-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine

(4S)-1'-[3-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine (PubChem CID 171471279) has the molecular formula C23H24ClN7 and a molecular weight of 433.95 g/mol. Its IUPAC name is (4S)-1'-[3-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine.

Molecular Properties

Compound Name(4S)-1'-[3-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine
PubChem CID171471279
Molecular FormulaC23H24ClN7
Molecular Weight433.95 g/mol
Exact Mass433.18
IUPAC Name(4S)-1'-[3-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine
SMILESCc1c(Cl)cccc1-c1ncc2c(N3CCC4(CC3)Cn3nccc3[C@H]4N)nccn12
InChIInChI=1S/C23H24ClN7/c1-15-16(3-2-4-17(15)24)21-27-13-19-22(26-9-12-30(19)21)29-10-6-23(7-11-29)14-31-18(20(23)25)5-8-28-31/h2-5,8-9,12-13,20H,6-7,10-11,14,25H2,1H3/t20-/m1/s1
InChIKeyZONYRMUQLVGEFQ-HXUWFJFHSA-N
XLogP3.85
TPSA77.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.95
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4S)-1'-[3-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-1'-[3-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine?
The IUPAC name of (4S)-1'-[3-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine (CID 171471279) is (4S)-1'-[3-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine.
What is the SMILES notation for (4S)-1'-[3-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine?
The canonical SMILES for (4S)-1'-[3-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine is Cc1c(Cl)cccc1-c1ncc2c(N3CCC4(CC3)Cn3nccc3[C@H]4N)nccn12.
What is the InChIKey of (4S)-1'-[3-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine?
The InChIKey is ZONYRMUQLVGEFQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H24ClN7/c1-15-16(3-2-4-17(15)24)21-27-13-19-22(26-9-12-30(19)21)29-10-6-23(7-11-29)14-31-18(20(23)25)5-8-28-31/h2-5,8-9,12-13,20H,6-7,10-11,14,25H2,1H3/t20-/m1/s1.
What are the key properties of (4S)-1'-[3-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine?
(4S)-1'-[3-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine has a molecular weight of 433.95 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1'-[3-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine is sourced from PubChem (CID 171471279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).