(5S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine

C24H24ClN7 — CID 168944333

IUPAC(5S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
SMILESCc1nccc(-c2cnc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)c1Cl
InChIInChI=1S/C24H24ClN7/c1-15-21(25)17(4-9-27-15)20-14-29-23(19-5-10-30-32(19)20)31-11-6-24(7-12-31)13-18-16(22(24)26)3-2-8-28-18/h2-5,8-10,14,22H,6-7,11-13,26H2,1H3/t22-/m1/s1
InChIKeyWBGCILQOSKOHST-JOCHJYFZSA-N
MW445.96 g/mol
LogP3.99
Rot. Bonds2

About (5S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine

(5S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (PubChem CID 168944333) has the molecular formula C24H24ClN7 and a molecular weight of 445.96 g/mol. Its IUPAC name is (5S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine.

Molecular Properties

Compound Name(5S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
PubChem CID168944333
Molecular FormulaC24H24ClN7
Molecular Weight445.96 g/mol
Exact Mass445.18
IUPAC Name(5S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
SMILESCc1nccc(-c2cnc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)c1Cl
InChIInChI=1S/C24H24ClN7/c1-15-21(25)17(4-9-27-15)20-14-29-23(19-5-10-30-32(19)20)31-11-6-24(7-12-31)13-18-16(22(24)26)3-2-8-28-18/h2-5,8-10,14,22H,6-7,11-13,26H2,1H3/t22-/m1/s1
InChIKeyWBGCILQOSKOHST-JOCHJYFZSA-N
XLogP3.99
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.96
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine with MolForge

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

Launch Full Analysis

Related Compounds

(5S)-1'-[7-(2,3-difluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 168943913
(1S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
CID 169080155
(5S)-1'-[7-(2-fluoro-4-methylphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 169450652
(5S)-1'-[6-methyl-7-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 168944288
3-[4-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-methylpyrazolo[1,5-a]pyrazin-7-yl]-1-methylpyridin-2-one
CID 168944147
(5S)-1'-[3-(2-chloro-3-fluorophenyl)imidazo[1,5-a]pyrazin-8-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 156751740
6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-1H-pyrazin-2-one
CID 163362565
(5S)-1'-(3-fluoro-6-methyl-7-phenylpyrazolo[1,5-a]pyrazin-4-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 168944352
3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one
CID 139525640
(5S)-1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;hydrochloride
CID 169080051
(5S)-1'-propan-2-ylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 155623818
(5S)-1'-(4-bromophenyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 146538401

Frequently Asked Questions

What is the IUPAC name of (5S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The IUPAC name of (5S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (CID 168944333) is (5S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine.
What is the SMILES notation for (5S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The canonical SMILES for (5S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is Cc1nccc(-c2cnc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)c1Cl.
What is the InChIKey of (5S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The InChIKey is WBGCILQOSKOHST-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H24ClN7/c1-15-21(25)17(4-9-27-15)20-14-29-23(19-5-10-30-32(19)20)31-11-6-24(7-12-31)13-18-16(22(24)26)3-2-8-28-18/h2-5,8-10,14,22H,6-7,11-13,26H2,1H3/t22-/m1/s1.
What are the key properties of (5S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
(5S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine has a molecular weight of 445.96 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is sourced from PubChem (CID 168944333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).