N-(dicyclopropylmethyl)-1-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide

C21H26F2N4O — CID 58023885

IUPACN-(dicyclopropylmethyl)-1-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NC(C1CC1)C1CC1)c1nc(CN2CCC(F)(F)CC2)c2ccccn12
InChIInChI=1S/C21H26F2N4O/c22-21(23)8-11-26(12-9-21)13-16-17-3-1-2-10-27(17)19(24-16)20(28)25-18(14-4-5-14)15-6-7-15/h1-3,10,14-15,18H,4-9,11-13H2,(H,25,28)
InChIKeyTWBAOTOOJHKCEE-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.48
Rot. Bonds6

About N-(dicyclopropylmethyl)-1-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide

N-(dicyclopropylmethyl)-1-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 58023885) has the molecular formula C21H26F2N4O and a molecular weight of 388.46 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-1-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-1-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide
PubChem CID58023885
Molecular FormulaC21H26F2N4O
Molecular Weight388.46 g/mol
Exact Mass388.21
IUPAC NameN-(dicyclopropylmethyl)-1-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NC(C1CC1)C1CC1)c1nc(CN2CCC(F)(F)CC2)c2ccccn12
InChIInChI=1S/C21H26F2N4O/c22-21(23)8-11-26(12-9-21)13-16-17-3-1-2-10-27(17)19(24-16)20(28)25-18(14-4-5-14)15-6-7-15/h1-3,10,14-15,18H,4-9,11-13H2,(H,25,28)
InChIKeyTWBAOTOOJHKCEE-UHFFFAOYSA-N
XLogP3.48
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-1-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-(dicyclopropylmethyl)-1-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide (CID 58023885) is N-(dicyclopropylmethyl)-1-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-1-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-(dicyclopropylmethyl)-1-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide is O=C(NC(C1CC1)C1CC1)c1nc(CN2CCC(F)(F)CC2)c2ccccn12.
What is the InChIKey of N-(dicyclopropylmethyl)-1-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is TWBAOTOOJHKCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N4O/c22-21(23)8-11-26(12-9-21)13-16-17-3-1-2-10-27(17)19(24-16)20(28)25-18(14-4-5-14)15-6-7-15/h1-3,10,14-15,18H,4-9,11-13H2,(H,25,28).
What are the key properties of N-(dicyclopropylmethyl)-1-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide?
N-(dicyclopropylmethyl)-1-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 388.46 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-1-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 58023885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).