N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3-methylimidazo[1,5-a]pyridine-6-carboxamide

C22H25FN4O2 — CID 126797853

IUPACN-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3-methylimidazo[1,5-a]pyridine-6-carboxamide
SMILESCc1ncc2ccc(C(=O)NC(C)c3cc(F)ccc3N3CCC(O)CC3)cn12
InChIInChI=1S/C22H25FN4O2/c1-14(25-22(29)16-3-5-18-12-24-15(2)27(18)13-16)20-11-17(23)4-6-21(20)26-9-7-19(28)8-10-26/h3-6,11-14,19,28H,7-10H2,1-2H3,(H,25,29)
InChIKeySMYPVQXHCMZZPU-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.23
Rot. Bonds4

About N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3-methylimidazo[1,5-a]pyridine-6-carboxamide

N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3-methylimidazo[1,5-a]pyridine-6-carboxamide (PubChem CID 126797853) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3-methylimidazo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3-methylimidazo[1,5-a]pyridine-6-carboxamide
PubChem CID126797853
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC NameN-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3-methylimidazo[1,5-a]pyridine-6-carboxamide
SMILESCc1ncc2ccc(C(=O)NC(C)c3cc(F)ccc3N3CCC(O)CC3)cn12
InChIInChI=1S/C22H25FN4O2/c1-14(25-22(29)16-3-5-18-12-24-15(2)27(18)13-16)20-11-17(23)4-6-21(20)26-9-7-19(28)8-10-26/h3-6,11-14,19,28H,7-10H2,1-2H3,(H,25,29)
InChIKeySMYPVQXHCMZZPU-UHFFFAOYSA-N
XLogP3.23
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3-methylimidazo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3-methylimidazo[1,5-a]pyridine-6-carboxamide (CID 126797853) is N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3-methylimidazo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3-methylimidazo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3-methylimidazo[1,5-a]pyridine-6-carboxamide is Cc1ncc2ccc(C(=O)NC(C)c3cc(F)ccc3N3CCC(O)CC3)cn12.
What is the InChIKey of N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3-methylimidazo[1,5-a]pyridine-6-carboxamide?
The InChIKey is SMYPVQXHCMZZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-14(25-22(29)16-3-5-18-12-24-15(2)27(18)13-16)20-11-17(23)4-6-21(20)26-9-7-19(28)8-10-26/h3-6,11-14,19,28H,7-10H2,1-2H3,(H,25,29).
What are the key properties of N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3-methylimidazo[1,5-a]pyridine-6-carboxamide?
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3-methylimidazo[1,5-a]pyridine-6-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3-methylimidazo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 126797853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).