(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

C25H30N8O — CID 169080067

IUPAC(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
SMILESCOc1cc2c(c(-c3nc(C)c(-c4cnn(C)c4C)n4nccc34)n1)CC1(CCNCC1)[C@@H]2N
InChIInChI=1S/C25H30N8O/c1-14-23(18-13-29-32(3)15(18)2)33-19(5-8-28-33)22(30-14)21-17-12-25(6-9-27-10-7-25)24(26)16(17)11-20(31-21)34-4/h5,8,11,13,24,27H,6-7,9-10,12,26H2,1-4H3/t24-/m1/s1
InChIKeyHUQULXXVBWBBJF-XMMPIXPASA-N
MW458.57 g/mol
LogP2.74
Rot. Bonds3

About (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

(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 (PubChem CID 169080067) has the molecular formula C25H30N8O and a molecular weight of 458.57 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID169080067
Molecular FormulaC25H30N8O
Molecular Weight458.57 g/mol
Exact Mass458.25
IUPAC Name(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
SMILESCOc1cc2c(c(-c3nc(C)c(-c4cnn(C)c4C)n4nccc34)n1)CC1(CCNCC1)[C@@H]2N
InChIInChI=1S/C25H30N8O/c1-14-23(18-13-29-32(3)15(18)2)33-19(5-8-28-33)22(30-14)21-17-12-25(6-9-27-10-7-25)24(26)16(17)11-20(31-21)34-4/h5,8,11,13,24,27H,6-7,9-10,12,26H2,1-4H3/t24-/m1/s1
InChIKeyHUQULXXVBWBBJF-XMMPIXPASA-N
XLogP2.74
TPSA108.18 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (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 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 (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1cc2c(c(-c3nc(C)c(-c4cnn(C)c4C)n4nccc34)n1)CC1(CCNCC1)[C@@H]2N.
What is the InChIKey of (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?
The InChIKey is HUQULXXVBWBBJF-XMMPIXPASA-N. The full InChI is InChI=1S/C25H30N8O/c1-14-23(18-13-29-32(3)15(18)2)33-19(5-8-28-33)22(30-14)21-17-12-25(6-9-27-10-7-25)24(26)16(17)11-20(31-21)34-4/h5,8,11,13,24,27H,6-7,9-10,12,26H2,1-4H3/t24-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 458.57 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 169080067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).