4-[8-chloro-6-[methoxy(methyl)carbamoyl]imidazo[1,5-a]pyridin-5-yl]piperazine-1-carboxylic acid

C15H18ClN5O4 — CID 87228413

IUPAC4-[8-chloro-6-[methoxy(methyl)carbamoyl]imidazo[1,5-a]pyridin-5-yl]piperazine-1-carboxylic acid
SMILESCON(C)C(=O)c1cc(Cl)c2cncn2c1N1CCN(C(=O)O)CC1
InChIInChI=1S/C15H18ClN5O4/c1-18(25-2)14(22)10-7-11(16)12-8-17-9-21(12)13(10)19-3-5-20(6-4-19)15(23)24/h7-9H,3-6H2,1-2H3,(H,23,24)
InChIKeyZDYWQDNBTCIXKP-UHFFFAOYSA-N
MW367.79 g/mol
LogP1.42
Rot. Bonds3

About 4-[8-chloro-6-[methoxy(methyl)carbamoyl]imidazo[1,5-a]pyridin-5-yl]piperazine-1-carboxylic acid

4-[8-chloro-6-[methoxy(methyl)carbamoyl]imidazo[1,5-a]pyridin-5-yl]piperazine-1-carboxylic acid (PubChem CID 87228413) has the molecular formula C15H18ClN5O4 and a molecular weight of 367.79 g/mol. Its IUPAC name is 4-[8-chloro-6-[methoxy(methyl)carbamoyl]imidazo[1,5-a]pyridin-5-yl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[8-chloro-6-[methoxy(methyl)carbamoyl]imidazo[1,5-a]pyridin-5-yl]piperazine-1-carboxylic acid
PubChem CID87228413
Molecular FormulaC15H18ClN5O4
Molecular Weight367.79 g/mol
Exact Mass367.10
IUPAC Name4-[8-chloro-6-[methoxy(methyl)carbamoyl]imidazo[1,5-a]pyridin-5-yl]piperazine-1-carboxylic acid
SMILESCON(C)C(=O)c1cc(Cl)c2cncn2c1N1CCN(C(=O)O)CC1
InChIInChI=1S/C15H18ClN5O4/c1-18(25-2)14(22)10-7-11(16)12-8-17-9-21(12)13(10)19-3-5-20(6-4-19)15(23)24/h7-9H,3-6H2,1-2H3,(H,23,24)
InChIKeyZDYWQDNBTCIXKP-UHFFFAOYSA-N
XLogP1.42
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[8-chloro-6-[methoxy(methyl)carbamoyl]imidazo[1,5-a]pyridin-5-yl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[8-chloro-6-[methoxy(methyl)carbamoyl]imidazo[1,5-a]pyridin-5-yl]piperazine-1-carboxylic acid (CID 87228413) is 4-[8-chloro-6-[methoxy(methyl)carbamoyl]imidazo[1,5-a]pyridin-5-yl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[8-chloro-6-[methoxy(methyl)carbamoyl]imidazo[1,5-a]pyridin-5-yl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[8-chloro-6-[methoxy(methyl)carbamoyl]imidazo[1,5-a]pyridin-5-yl]piperazine-1-carboxylic acid is CON(C)C(=O)c1cc(Cl)c2cncn2c1N1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[8-chloro-6-[methoxy(methyl)carbamoyl]imidazo[1,5-a]pyridin-5-yl]piperazine-1-carboxylic acid?
The InChIKey is ZDYWQDNBTCIXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O4/c1-18(25-2)14(22)10-7-11(16)12-8-17-9-21(12)13(10)19-3-5-20(6-4-19)15(23)24/h7-9H,3-6H2,1-2H3,(H,23,24).
What are the key properties of 4-[8-chloro-6-[methoxy(methyl)carbamoyl]imidazo[1,5-a]pyridin-5-yl]piperazine-1-carboxylic acid?
4-[8-chloro-6-[methoxy(methyl)carbamoyl]imidazo[1,5-a]pyridin-5-yl]piperazine-1-carboxylic acid has a molecular weight of 367.79 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-chloro-6-[methoxy(methyl)carbamoyl]imidazo[1,5-a]pyridin-5-yl]piperazine-1-carboxylic acid is sourced from PubChem (CID 87228413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).