N-[(1S,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,5-a]pyridine-6-carboxamide

C14H16N4O — CID 98077637

IUPACN-[(1S,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,5-a]pyridine-6-carboxamide
SMILESO=C(N[C@H]1C[C@@H]2C[C@@H]1CN2)c1ccc2cncn2c1
InChIInChI=1S/C14H16N4O/c19-14(17-13-4-11-3-10(13)5-16-11)9-1-2-12-6-15-8-18(12)7-9/h1-2,6-8,10-11,13,16H,3-5H2,(H,17,19)/t10-,11+,13+/m1/s1
InChIKeyIPEYRTUBKLROHF-MDZLAQPJSA-N
MW256.31 g/mol
LogP0.81
Rot. Bonds2

About N-[(1S,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,5-a]pyridine-6-carboxamide

N-[(1S,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,5-a]pyridine-6-carboxamide (PubChem CID 98077637) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[(1S,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(1S,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,5-a]pyridine-6-carboxamide
PubChem CID98077637
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-[(1S,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,5-a]pyridine-6-carboxamide
SMILESO=C(N[C@H]1C[C@@H]2C[C@@H]1CN2)c1ccc2cncn2c1
InChIInChI=1S/C14H16N4O/c19-14(17-13-4-11-3-10(13)5-16-11)9-1-2-12-6-15-8-18(12)7-9/h1-2,6-8,10-11,13,16H,3-5H2,(H,17,19)/t10-,11+,13+/m1/s1
InChIKeyIPEYRTUBKLROHF-MDZLAQPJSA-N
XLogP0.81
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,5-a]pyridine-6-carboxamide
CID 93499231
N-[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 93499229
N-(2-azabicyclo[2.2.1]heptan-5-yl)-2-cyanoimidazo[1,2-a]pyridine-6-carboxamide
CID 22566051
N-(2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-6-carboxamide
CID 10192822
N-(2-azabicyclo[2.2.1]heptan-5-yl)-3-bromoindolizine-7-carboxamide
CID 22565606
N-[(1S,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-1-benzofuran-6-carboxamide
CID 98077658
N-[(1R,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]-1-benzofuran-6-carboxamide
CID 129449962
N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-[(5-chloro-3-pyridinyl)oxy]benzamide
CID 22573509
N-(cyclopropylmethylsulfonyl)imidazo[1,5-a]pyridine-6-carboxamide
CID 167768598
4-(4-acetylphenoxy)-N-(2-azabicyclo[2.2.1]heptan-5-yl)benzamide
CID 22573485
N-(2-azabicyclo[2.2.1]heptan-5-yl)-6-cyanopyrrolo[1,2-a]pyrazine-3-carboxamide
CID 22565556
N-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxamide
CID 93499254

Frequently Asked Questions

What is the IUPAC name of N-[(1S,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of N-[(1S,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,5-a]pyridine-6-carboxamide (CID 98077637) is N-[(1S,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(1S,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(1S,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,5-a]pyridine-6-carboxamide is O=C(N[C@H]1C[C@@H]2C[C@@H]1CN2)c1ccc2cncn2c1.
What is the InChIKey of N-[(1S,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,5-a]pyridine-6-carboxamide?
The InChIKey is IPEYRTUBKLROHF-MDZLAQPJSA-N. The full InChI is InChI=1S/C14H16N4O/c19-14(17-13-4-11-3-10(13)5-16-11)9-1-2-12-6-15-8-18(12)7-9/h1-2,6-8,10-11,13,16H,3-5H2,(H,17,19)/t10-,11+,13+/m1/s1.
What are the key properties of N-[(1S,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,5-a]pyridine-6-carboxamide?
N-[(1S,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,5-a]pyridine-6-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 98077637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).