1-N-cyclopropyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide

C16H22N4O2 — CID 155872068

IUPAC1-N-cyclopropyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
SMILESO=C(NC1CC1)c1ncn2c1CCC(C(=O)NCC1CC1)C2
InChIInChI=1S/C16H22N4O2/c21-15(17-7-10-1-2-10)11-3-6-13-14(18-9-20(13)8-11)16(22)19-12-4-5-12/h9-12H,1-8H2,(H,17,21)(H,19,22)
InChIKeyQNEFLOKHOXZURO-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.86
Rot. Bonds5

About 1-N-cyclopropyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide

1-N-cyclopropyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide (PubChem CID 155872068) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-N-cyclopropyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclopropyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
PubChem CID155872068
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-N-cyclopropyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
SMILESO=C(NC1CC1)c1ncn2c1CCC(C(=O)NCC1CC1)C2
InChIInChI=1S/C16H22N4O2/c21-15(17-7-10-1-2-10)11-3-6-13-14(18-9-20(13)8-11)16(22)19-12-4-5-12/h9-12H,1-8H2,(H,17,21)(H,19,22)
InChIKeyQNEFLOKHOXZURO-UHFFFAOYSA-N
XLogP0.86
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide?
The IUPAC name of 1-N-cyclopropyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide (CID 155872068) is 1-N-cyclopropyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide.
What is the SMILES notation for 1-N-cyclopropyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide?
The canonical SMILES for 1-N-cyclopropyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide is O=C(NC1CC1)c1ncn2c1CCC(C(=O)NCC1CC1)C2.
What is the InChIKey of 1-N-cyclopropyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide?
The InChIKey is QNEFLOKHOXZURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-15(17-7-10-1-2-10)11-3-6-13-14(18-9-20(13)8-11)16(22)19-12-4-5-12/h9-12H,1-8H2,(H,17,21)(H,19,22).
What are the key properties of 1-N-cyclopropyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide?
1-N-cyclopropyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide has a molecular weight of 302.38 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide is sourced from PubChem (CID 155872068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).