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

C27H29ClFN5O — CID 168944115

IUPAC1'-[7-(3-fluoro-2-methyl-4-pyridinyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine];hydrochloride
SMILESCOc1ccc2c(c1)CC1(CCN(c3nc(C)c(-c4ccnc(C)c4F)n4nccc34)CC1)C2.Cl
InChIInChI=1S/C27H28FN5O.ClH/c1-17-24(28)22(6-10-29-17)25-18(2)31-26(23-7-11-30-33(23)25)32-12-8-27(9-13-32)15-19-4-5-21(34-3)14-20(19)16-27;/h4-7,10-11,14H,8-9,12-13,15-16H2,1-3H3;1H
InChIKeyAZOLLSCQXJTCCU-UHFFFAOYSA-N
MW494.01 g/mol
LogP5.36
Rot. Bonds3

About 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

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 (PubChem CID 168944115) has the molecular formula C27H29ClFN5O and a molecular weight of 494.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1'-[7-(3-fluoro-2-methyl-4-pyridinyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine];hydrochloride
PubChem CID168944115
Molecular FormulaC27H29ClFN5O
Molecular Weight494.01 g/mol
Exact Mass493.20
IUPAC Name1'-[7-(3-fluoro-2-methyl-4-pyridinyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine];hydrochloride
SMILESCOc1ccc2c(c1)CC1(CCN(c3nc(C)c(-c4ccnc(C)c4F)n4nccc34)CC1)C2.Cl
InChIInChI=1S/C27H28FN5O.ClH/c1-17-24(28)22(6-10-29-17)25-18(2)31-26(23-7-11-30-33(23)25)32-12-8-27(9-13-32)15-19-4-5-21(34-3)14-20(19)16-27;/h4-7,10-11,14H,8-9,12-13,15-16H2,1-3H3;1H
InChIKeyAZOLLSCQXJTCCU-UHFFFAOYSA-N
XLogP5.36
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.01
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2c(c1)CC1(CCN(c3nc(C)c(-c4ccnc(C)c4F)n4nccc34)CC1)C2.Cl.
What is the InChIKey of 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?
The InChIKey is AZOLLSCQXJTCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O.ClH/c1-17-24(28)22(6-10-29-17)25-18(2)31-26(23-7-11-30-33(23)25)32-12-8-27(9-13-32)15-19-4-5-21(34-3)14-20(19)16-27;/h4-7,10-11,14H,8-9,12-13,15-16H2,1-3H3;1H.
What are the key properties of 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?
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 has a molecular weight of 494.01 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168944115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).