(1S,5R)-N-[(1-cyclopropylimidazo[1,5-a]pyridin-3-yl)methyl]-3-azabicyclo[3.1.1]heptane-6-carboxamide

C18H22N4O — CID 171598114

IUPAC(1S,5R)-N-[(1-cyclopropylimidazo[1,5-a]pyridin-3-yl)methyl]-3-azabicyclo[3.1.1]heptane-6-carboxamide
SMILESO=C(NCc1nc(C2CC2)c2ccccn12)C1[C@@H]2CNC[C@H]1C2
InChIInChI=1S/C18H22N4O/c23-18(16-12-7-13(16)9-19-8-12)20-10-15-21-17(11-4-5-11)14-3-1-2-6-22(14)15/h1-3,6,11-13,16,19H,4-5,7-10H2,(H,20,23)/t12-,13+,16?
InChIKeyOYFABDPVHVOYPX-OCZCAGDBSA-N
MW310.40 g/mol
LogP1.68
Rot. Bonds4

About (1S,5R)-N-[(1-cyclopropylimidazo[1,5-a]pyridin-3-yl)methyl]-3-azabicyclo[3.1.1]heptane-6-carboxamide

(1S,5R)-N-[(1-cyclopropylimidazo[1,5-a]pyridin-3-yl)methyl]-3-azabicyclo[3.1.1]heptane-6-carboxamide (PubChem CID 171598114) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is (1S,5R)-N-[(1-cyclopropylimidazo[1,5-a]pyridin-3-yl)methyl]-3-azabicyclo[3.1.1]heptane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-[(1-cyclopropylimidazo[1,5-a]pyridin-3-yl)methyl]-3-azabicyclo[3.1.1]heptane-6-carboxamide
PubChem CID171598114
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name(1S,5R)-N-[(1-cyclopropylimidazo[1,5-a]pyridin-3-yl)methyl]-3-azabicyclo[3.1.1]heptane-6-carboxamide
SMILESO=C(NCc1nc(C2CC2)c2ccccn12)C1[C@@H]2CNC[C@H]1C2
InChIInChI=1S/C18H22N4O/c23-18(16-12-7-13(16)9-19-8-12)20-10-15-21-17(11-4-5-11)14-3-1-2-6-22(14)15/h1-3,6,11-13,16,19H,4-5,7-10H2,(H,20,23)/t12-,13+,16?
InChIKeyOYFABDPVHVOYPX-OCZCAGDBSA-N
XLogP1.68
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 146316177
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UR-12670
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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-[(1-cyclopropylimidazo[1,5-a]pyridin-3-yl)methyl]-3-azabicyclo[3.1.1]heptane-6-carboxamide?
The IUPAC name of (1S,5R)-N-[(1-cyclopropylimidazo[1,5-a]pyridin-3-yl)methyl]-3-azabicyclo[3.1.1]heptane-6-carboxamide (CID 171598114) is (1S,5R)-N-[(1-cyclopropylimidazo[1,5-a]pyridin-3-yl)methyl]-3-azabicyclo[3.1.1]heptane-6-carboxamide.
What is the SMILES notation for (1S,5R)-N-[(1-cyclopropylimidazo[1,5-a]pyridin-3-yl)methyl]-3-azabicyclo[3.1.1]heptane-6-carboxamide?
The canonical SMILES for (1S,5R)-N-[(1-cyclopropylimidazo[1,5-a]pyridin-3-yl)methyl]-3-azabicyclo[3.1.1]heptane-6-carboxamide is O=C(NCc1nc(C2CC2)c2ccccn12)C1[C@@H]2CNC[C@H]1C2.
What is the InChIKey of (1S,5R)-N-[(1-cyclopropylimidazo[1,5-a]pyridin-3-yl)methyl]-3-azabicyclo[3.1.1]heptane-6-carboxamide?
The InChIKey is OYFABDPVHVOYPX-OCZCAGDBSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18(16-12-7-13(16)9-19-8-12)20-10-15-21-17(11-4-5-11)14-3-1-2-6-22(14)15/h1-3,6,11-13,16,19H,4-5,7-10H2,(H,20,23)/t12-,13+,16?.
What are the key properties of (1S,5R)-N-[(1-cyclopropylimidazo[1,5-a]pyridin-3-yl)methyl]-3-azabicyclo[3.1.1]heptane-6-carboxamide?
(1S,5R)-N-[(1-cyclopropylimidazo[1,5-a]pyridin-3-yl)methyl]-3-azabicyclo[3.1.1]heptane-6-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-[(1-cyclopropylimidazo[1,5-a]pyridin-3-yl)methyl]-3-azabicyclo[3.1.1]heptane-6-carboxamide is sourced from PubChem (CID 171598114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).