(5S)-3-methoxy-1'-(6-methyl-7-phenylpyrazolo[1,5-a]pyrazin-4-yl)spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine

C26H28N6O — CID 168943903

IUPAC(5S)-3-methoxy-1'-(6-methyl-7-phenylpyrazolo[1,5-a]pyrazin-4-yl)spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine
SMILESCOc1cc2c(cn1)CC1(CCN(c3nc(C)c(-c4ccccc4)n4nccc34)CC1)[C@@H]2N
InChIInChI=1S/C26H28N6O/c1-17-23(18-6-4-3-5-7-18)32-21(8-11-29-32)25(30-17)31-12-9-26(10-13-31)15-19-16-28-22(33-2)14-20(19)24(26)27/h3-8,11,14,16,24H,9-10,12-13,15,27H2,1-2H3/t24-/m1/s1
InChIKeyNKHYLHPYGZLAAW-XMMPIXPASA-N
MW440.55 g/mol
LogP3.95
Rot. Bonds3

About (5S)-3-methoxy-1'-(6-methyl-7-phenylpyrazolo[1,5-a]pyrazin-4-yl)spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine

(5S)-3-methoxy-1'-(6-methyl-7-phenylpyrazolo[1,5-a]pyrazin-4-yl)spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine (PubChem CID 168943903) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is (5S)-3-methoxy-1'-(6-methyl-7-phenylpyrazolo[1,5-a]pyrazin-4-yl)spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine.

Molecular Properties

Compound Name(5S)-3-methoxy-1'-(6-methyl-7-phenylpyrazolo[1,5-a]pyrazin-4-yl)spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine
PubChem CID168943903
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC Name(5S)-3-methoxy-1'-(6-methyl-7-phenylpyrazolo[1,5-a]pyrazin-4-yl)spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine
SMILESCOc1cc2c(cn1)CC1(CCN(c3nc(C)c(-c4ccccc4)n4nccc34)CC1)[C@@H]2N
InChIInChI=1S/C26H28N6O/c1-17-23(18-6-4-3-5-7-18)32-21(8-11-29-32)25(30-17)31-12-9-26(10-13-31)15-19-16-28-22(33-2)14-20(19)24(26)27/h3-8,11,14,16,24H,9-10,12-13,15,27H2,1-2H3/t24-/m1/s1
InChIKeyNKHYLHPYGZLAAW-XMMPIXPASA-N
XLogP3.95
TPSA81.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5S)-3-methoxy-1'-(6-methyl-7-phenylpyrazolo[1,5-a]pyrazin-4-yl)spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine with MolForge

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Related Compounds

(1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
CID 169080102
N-[(5S)-1'-(7-bromo-6-methylpyrazolo[1,5-a]pyrazin-4-yl)-3-methoxyspiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide
CID 168944090
(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
(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
(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
(1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 168944025
(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'-[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-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methoxyspiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine
CID 169080067
(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
N-[(1S)-6-methoxy-1'-[6-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]methanimine
CID 170101491

Frequently Asked Questions

What is the IUPAC name of (5S)-3-methoxy-1'-(6-methyl-7-phenylpyrazolo[1,5-a]pyrazin-4-yl)spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine?
The IUPAC name of (5S)-3-methoxy-1'-(6-methyl-7-phenylpyrazolo[1,5-a]pyrazin-4-yl)spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine (CID 168943903) is (5S)-3-methoxy-1'-(6-methyl-7-phenylpyrazolo[1,5-a]pyrazin-4-yl)spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine.
What is the SMILES notation for (5S)-3-methoxy-1'-(6-methyl-7-phenylpyrazolo[1,5-a]pyrazin-4-yl)spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine?
The canonical SMILES for (5S)-3-methoxy-1'-(6-methyl-7-phenylpyrazolo[1,5-a]pyrazin-4-yl)spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine is COc1cc2c(cn1)CC1(CCN(c3nc(C)c(-c4ccccc4)n4nccc34)CC1)[C@@H]2N.
What is the InChIKey of (5S)-3-methoxy-1'-(6-methyl-7-phenylpyrazolo[1,5-a]pyrazin-4-yl)spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine?
The InChIKey is NKHYLHPYGZLAAW-XMMPIXPASA-N. The full InChI is InChI=1S/C26H28N6O/c1-17-23(18-6-4-3-5-7-18)32-21(8-11-29-32)25(30-17)31-12-9-26(10-13-31)15-19-16-28-22(33-2)14-20(19)24(26)27/h3-8,11,14,16,24H,9-10,12-13,15,27H2,1-2H3/t24-/m1/s1.
What are the key properties of (5S)-3-methoxy-1'-(6-methyl-7-phenylpyrazolo[1,5-a]pyrazin-4-yl)spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine?
(5S)-3-methoxy-1'-(6-methyl-7-phenylpyrazolo[1,5-a]pyrazin-4-yl)spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine has a molecular weight of 440.55 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-methoxy-1'-(6-methyl-7-phenylpyrazolo[1,5-a]pyrazin-4-yl)spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine is sourced from PubChem (CID 168943903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).