N-ethyl-N-propyl-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide

C23H29N5O — CID 131670926

IUPACN-ethyl-N-propyl-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESCCCN(CC)C(=O)c1nc(C2CCCN2Cc2ccccn2)n2ccccc12
InChIInChI=1S/C23H29N5O/c1-3-14-26(4-2)23(29)21-19-11-6-8-16-28(19)22(25-21)20-12-9-15-27(20)17-18-10-5-7-13-24-18/h5-8,10-11,13,16,20H,3-4,9,12,14-15,17H2,1-2H3
InChIKeyBXHJIOYNRKIQQR-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.94
Rot. Bonds7

About N-ethyl-N-propyl-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide

N-ethyl-N-propyl-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 131670926) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is N-ethyl-N-propyl-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-propyl-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID131670926
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC NameN-ethyl-N-propyl-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESCCCN(CC)C(=O)c1nc(C2CCCN2Cc2ccccn2)n2ccccc12
InChIInChI=1S/C23H29N5O/c1-3-14-26(4-2)23(29)21-19-11-6-8-16-28(19)22(25-21)20-12-9-15-27(20)17-18-10-5-7-13-24-18/h5-8,10-11,13,16,20H,3-4,9,12,14-15,17H2,1-2H3
InChIKeyBXHJIOYNRKIQQR-UHFFFAOYSA-N
XLogP3.94
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propyl-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-ethyl-N-propyl-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide (CID 131670926) is N-ethyl-N-propyl-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-ethyl-N-propyl-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-ethyl-N-propyl-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide is CCCN(CC)C(=O)c1nc(C2CCCN2Cc2ccccn2)n2ccccc12.
What is the InChIKey of N-ethyl-N-propyl-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is BXHJIOYNRKIQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-3-14-26(4-2)23(29)21-19-11-6-8-16-28(19)22(25-21)20-12-9-15-27(20)17-18-10-5-7-13-24-18/h5-8,10-11,13,16,20H,3-4,9,12,14-15,17H2,1-2H3.
What are the key properties of N-ethyl-N-propyl-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide?
N-ethyl-N-propyl-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propyl-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 131670926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).