2-methyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C22H26N6O — CID 91817859

IUPAC2-methyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)NC1CCN(c2ncnc3c2CCCC3)CC1
InChIInChI=1S/C22H26N6O/c1-15-20(28-11-5-4-8-19(28)25-15)22(29)26-16-9-12-27(13-10-16)21-17-6-2-3-7-18(17)23-14-24-21/h4-5,8,11,14,16H,2-3,6-7,9-10,12-13H2,1H3,(H,26,29)
InChIKeyYTHIVENHPYYVFN-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.71
Rot. Bonds3

About 2-methyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

2-methyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 91817859) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-methyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID91817859
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name2-methyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)NC1CCN(c2ncnc3c2CCCC3)CC1
InChIInChI=1S/C22H26N6O/c1-15-20(28-11-5-4-8-19(28)25-15)22(29)26-16-9-12-27(13-10-16)21-17-6-2-3-7-18(17)23-14-24-21/h4-5,8,11,14,16H,2-3,6-7,9-10,12-13H2,1H3,(H,26,29)
InChIKeyYTHIVENHPYYVFN-UHFFFAOYSA-N
XLogP2.71
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 91817859) is 2-methyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2ccccn2c1C(=O)NC1CCN(c2ncnc3c2CCCC3)CC1.
What is the InChIKey of 2-methyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is YTHIVENHPYYVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-15-20(28-11-5-4-8-19(28)25-15)22(29)26-16-9-12-27(13-10-16)21-17-6-2-3-7-18(17)23-14-24-21/h4-5,8,11,14,16H,2-3,6-7,9-10,12-13H2,1H3,(H,26,29).
What are the key properties of 2-methyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
2-methyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 91817859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).