1'-[2-(difluoromethyl)-7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]

C25H27F2N7 — CID 168943979

IUPAC1'-[2-(difluoromethyl)-7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]
SMILESCc1nc(N2CCC3(CC2)Cc2cccnc2C3)c2cc(C(F)F)nn2c1-c1cnn(C)c1C
InChIInChI=1S/C25H27F2N7/c1-15-22(18-14-29-32(3)16(18)2)34-21(11-19(31-34)23(26)27)24(30-15)33-9-6-25(7-10-33)12-17-5-4-8-28-20(17)13-25/h4-5,8,11,14,23H,6-7,9-10,12-13H2,1-3H3
InChIKeyMCJBZYVELUASFX-UHFFFAOYSA-N
MW463.54 g/mol
LogP4.46
Rot. Bonds3

About 1'-[2-(difluoromethyl)-7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]

1'-[2-(difluoromethyl)-7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine] (PubChem CID 168943979) has the molecular formula C25H27F2N7 and a molecular weight of 463.54 g/mol. Its IUPAC name is 1'-[2-(difluoromethyl)-7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine].

Molecular Properties

Compound Name1'-[2-(difluoromethyl)-7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]
PubChem CID168943979
Molecular FormulaC25H27F2N7
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC Name1'-[2-(difluoromethyl)-7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]
SMILESCc1nc(N2CCC3(CC2)Cc2cccnc2C3)c2cc(C(F)F)nn2c1-c1cnn(C)c1C
InChIInChI=1S/C25H27F2N7/c1-15-22(18-14-29-32(3)16(18)2)34-21(11-19(31-34)23(26)27)24(30-15)33-9-6-25(7-10-33)12-17-5-4-8-28-20(17)13-25/h4-5,8,11,14,23H,6-7,9-10,12-13H2,1-3H3
InChIKeyMCJBZYVELUASFX-UHFFFAOYSA-N
XLogP4.46
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1'-[2-(difluoromethyl)-7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine] 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

1'-[7-(2-chlorothiophen-3-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]
CID 170101323
1'-[7-(2,3-difluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]
CID 168943952
2-fluoro-3-(6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-7-yl)benzonitrile
CID 168944276
[7-(2-fluorophenyl)-6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-3-yl]methanol
CID 168944229
1'-[7-(2-chloro-3-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]
CID 168944053
(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
(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
1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methoxyspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
CID 170101698
1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]
CID 168944224
[7-[(2E,4Z)-hexa-2,4-dien-2-yl]-6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-3-yl]methanol
CID 170101528
1'-[7-(3-fluoro-2-methyl-4-pyridinyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine];hydrochloride
CID 168944115
(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

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(difluoromethyl)-7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]?
The IUPAC name of 1'-[2-(difluoromethyl)-7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine] (CID 168943979) is 1'-[2-(difluoromethyl)-7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine].
What is the SMILES notation for 1'-[2-(difluoromethyl)-7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]?
The canonical SMILES for 1'-[2-(difluoromethyl)-7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine] is Cc1nc(N2CCC3(CC2)Cc2cccnc2C3)c2cc(C(F)F)nn2c1-c1cnn(C)c1C.
What is the InChIKey of 1'-[2-(difluoromethyl)-7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]?
The InChIKey is MCJBZYVELUASFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N7/c1-15-22(18-14-29-32(3)16(18)2)34-21(11-19(31-34)23(26)27)24(30-15)33-9-6-25(7-10-33)12-17-5-4-8-28-20(17)13-25/h4-5,8,11,14,23H,6-7,9-10,12-13H2,1-3H3.
What are the key properties of 1'-[2-(difluoromethyl)-7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]?
1'-[2-(difluoromethyl)-7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine] has a molecular weight of 463.54 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(difluoromethyl)-7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine] is sourced from PubChem (CID 168943979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).