N-[4-(hydroxymethyl)oxan-4-yl]-1-(6-piperazin-4-ium-1-yl-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide

C23H29N6O3+ — CID 58023227

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-1-(6-piperazin-4-ium-1-yl-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NC1(CO)CCOCC1)c1nc(-c2ccc(N3CC[NH2+]CC3)nc2)c2ccccn12
InChIInChI=1S/C23H28N6O3/c30-16-23(6-13-32-14-7-23)27-22(31)21-26-20(18-3-1-2-10-29(18)21)17-4-5-19(25-15-17)28-11-8-24-9-12-28/h1-5,10,15,24,30H,6-9,11-14,16H2,(H,27,31)/p+1
InChIKeyMJYIOQZJDSPKAH-UHFFFAOYSA-O
MW437.52 g/mol
LogP0.05
Rot. Bonds5

About N-[4-(hydroxymethyl)oxan-4-yl]-1-(6-piperazin-4-ium-1-yl-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide

N-[4-(hydroxymethyl)oxan-4-yl]-1-(6-piperazin-4-ium-1-yl-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 58023227) has the molecular formula C23H29N6O3+ and a molecular weight of 437.52 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-1-(6-piperazin-4-ium-1-yl-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-1-(6-piperazin-4-ium-1-yl-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide
PubChem CID58023227
Molecular FormulaC23H29N6O3+
Molecular Weight437.52 g/mol
Exact Mass437.23
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-1-(6-piperazin-4-ium-1-yl-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NC1(CO)CCOCC1)c1nc(-c2ccc(N3CC[NH2+]CC3)nc2)c2ccccn12
InChIInChI=1S/C23H28N6O3/c30-16-23(6-13-32-14-7-23)27-22(31)21-26-20(18-3-1-2-10-29(18)21)17-4-5-19(25-15-17)28-11-8-24-9-12-28/h1-5,10,15,24,30H,6-9,11-14,16H2,(H,27,31)/p+1
InChIKeyMJYIOQZJDSPKAH-UHFFFAOYSA-O
XLogP0.05
TPSA108.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-1-(6-piperazin-4-ium-1-yl-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-1-(6-piperazin-4-ium-1-yl-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide (CID 58023227) is N-[4-(hydroxymethyl)oxan-4-yl]-1-(6-piperazin-4-ium-1-yl-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-1-(6-piperazin-4-ium-1-yl-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-1-(6-piperazin-4-ium-1-yl-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide is O=C(NC1(CO)CCOCC1)c1nc(-c2ccc(N3CC[NH2+]CC3)nc2)c2ccccn12.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-1-(6-piperazin-4-ium-1-yl-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is MJYIOQZJDSPKAH-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H28N6O3/c30-16-23(6-13-32-14-7-23)27-22(31)21-26-20(18-3-1-2-10-29(18)21)17-4-5-19(25-15-17)28-11-8-24-9-12-28/h1-5,10,15,24,30H,6-9,11-14,16H2,(H,27,31)/p+1.
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-1-(6-piperazin-4-ium-1-yl-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide?
N-[4-(hydroxymethyl)oxan-4-yl]-1-(6-piperazin-4-ium-1-yl-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-1-(6-piperazin-4-ium-1-yl-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 58023227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).