3-[(3S,4R)-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol

C22H35N5O — CID 133115109

IUPAC3-[(3S,4R)-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol
SMILESCc1nc(CN2CC[C@@H](N3CCN(C)CC3)[C@@H](CCCO)C2)c2ccccn12
InChIInChI=1S/C22H35N5O/c1-18-23-20(22-7-3-4-9-27(18)22)17-25-10-8-21(19(16-25)6-5-15-28)26-13-11-24(2)12-14-26/h3-4,7,9,19,21,28H,5-6,8,10-17H2,1-2H3/t19-,21+/m0/s1
InChIKeyYIPLKILKNZWKLA-PZJWPPBQSA-N
MW385.56 g/mol
LogP1.85
Rot. Bonds6

About 3-[(3S,4R)-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol

3-[(3S,4R)-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol (PubChem CID 133115109) has the molecular formula C22H35N5O and a molecular weight of 385.56 g/mol. Its IUPAC name is 3-[(3S,4R)-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(3S,4R)-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol
PubChem CID133115109
Molecular FormulaC22H35N5O
Molecular Weight385.56 g/mol
Exact Mass385.28
IUPAC Name3-[(3S,4R)-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol
SMILESCc1nc(CN2CC[C@@H](N3CCN(C)CC3)[C@@H](CCCO)C2)c2ccccn12
InChIInChI=1S/C22H35N5O/c1-18-23-20(22-7-3-4-9-27(18)22)17-25-10-8-21(19(16-25)6-5-15-28)26-13-11-24(2)12-14-26/h3-4,7,9,19,21,28H,5-6,8,10-17H2,1-2H3/t19-,21+/m0/s1
InChIKeyYIPLKILKNZWKLA-PZJWPPBQSA-N
XLogP1.85
TPSA47.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4R)-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol?
The IUPAC name of 3-[(3S,4R)-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol (CID 133115109) is 3-[(3S,4R)-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[(3S,4R)-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[(3S,4R)-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol is Cc1nc(CN2CC[C@@H](N3CCN(C)CC3)[C@@H](CCCO)C2)c2ccccn12.
What is the InChIKey of 3-[(3S,4R)-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol?
The InChIKey is YIPLKILKNZWKLA-PZJWPPBQSA-N. The full InChI is InChI=1S/C22H35N5O/c1-18-23-20(22-7-3-4-9-27(18)22)17-25-10-8-21(19(16-25)6-5-15-28)26-13-11-24(2)12-14-26/h3-4,7,9,19,21,28H,5-6,8,10-17H2,1-2H3/t19-,21+/m0/s1.
What are the key properties of 3-[(3S,4R)-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol?
3-[(3S,4R)-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol has a molecular weight of 385.56 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4R)-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 133115109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).