3-ethyl-N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide

C18H24N4O — CID 11580445

IUPAC3-ethyl-N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESCCc1nc(C(=O)NC[C@@H]2CCN3CCC[C@@H]23)c2ccccn12
InChIInChI=1S/C18H24N4O/c1-2-16-20-17(15-6-3-4-10-22(15)16)18(23)19-12-13-8-11-21-9-5-7-14(13)21/h3-4,6,10,13-14H,2,5,7-9,11-12H2,1H3,(H,19,23)/t13-,14-/m0/s1
InChIKeyIPHCPNIQDFAJPA-KBPBESRZSA-N
MW312.42 g/mol
LogP2.11
Rot. Bonds4

About 3-ethyl-N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide

3-ethyl-N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 11580445) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-ethyl-N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID11580445
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name3-ethyl-N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESCCc1nc(C(=O)NC[C@@H]2CCN3CCC[C@@H]23)c2ccccn12
InChIInChI=1S/C18H24N4O/c1-2-16-20-17(15-6-3-4-10-22(15)16)18(23)19-12-13-8-11-21-9-5-7-14(13)21/h3-4,6,10,13-14H,2,5,7-9,11-12H2,1H3,(H,19,23)/t13-,14-/m0/s1
InChIKeyIPHCPNIQDFAJPA-KBPBESRZSA-N
XLogP2.11
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-ethyl-N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide (CID 11580445) is 3-ethyl-N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-ethyl-N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-ethyl-N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide is CCc1nc(C(=O)NC[C@@H]2CCN3CCC[C@@H]23)c2ccccn12.
What is the InChIKey of 3-ethyl-N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is IPHCPNIQDFAJPA-KBPBESRZSA-N. The full InChI is InChI=1S/C18H24N4O/c1-2-16-20-17(15-6-3-4-10-22(15)16)18(23)19-12-13-8-11-21-9-5-7-14(13)21/h3-4,6,10,13-14H,2,5,7-9,11-12H2,1H3,(H,19,23)/t13-,14-/m0/s1.
What are the key properties of 3-ethyl-N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide?
3-ethyl-N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 11580445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).