N-[[6-[(4-tert-butylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

C27H32N6O2 — CID 155167642

IUPACN-[[6-[(4-tert-butylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCC(C)(C)C1CCN(Cc2ccc3nc(CNC(=O)c4cc(=O)n5ccccc5n4)cn3c2)CC1
InChIInChI=1S/C27H32N6O2/c1-27(2,3)20-9-12-31(13-10-20)16-19-7-8-23-29-21(18-32(23)17-19)15-28-26(35)22-14-25(34)33-11-5-4-6-24(33)30-22/h4-8,11,14,17-18,20H,9-10,12-13,15-16H2,1-3H3,(H,28,35)
InChIKeyWDFQAELRFKCHKJ-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.53
Rot. Bonds5

About N-[[6-[(4-tert-butylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

N-[[6-[(4-tert-butylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 155167642) has the molecular formula C27H32N6O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-[[6-[(4-tert-butylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[(4-tert-butylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID155167642
Molecular FormulaC27H32N6O2
Molecular Weight472.59 g/mol
Exact Mass472.26
IUPAC NameN-[[6-[(4-tert-butylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCC(C)(C)C1CCN(Cc2ccc3nc(CNC(=O)c4cc(=O)n5ccccc5n4)cn3c2)CC1
InChIInChI=1S/C27H32N6O2/c1-27(2,3)20-9-12-31(13-10-20)16-19-7-8-23-29-21(18-32(23)17-19)15-28-26(35)22-14-25(34)33-11-5-4-6-24(33)30-22/h4-8,11,14,17-18,20H,9-10,12-13,15-16H2,1-3H3,(H,28,35)
InChIKeyWDFQAELRFKCHKJ-UHFFFAOYSA-N
XLogP3.53
TPSA84.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[6-[(4-tert-butylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[6-[[(2,2-dimethylcyclopropyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 155167361
N-[[6-(2-anilino-2-oxoethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 162715461
4-oxo-N-[[6-[(3,3,3-trifluoropropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide
CID 155167703
N-[[6-[[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 155167408
N-[[6-[[cyclohexyl(formyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 155167728
N-[[6-[[(2-fluorophenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 155167659
N-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 155167590
4-oxo-N-[[6-[(1,3-thiazol-5-ylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide
CID 155167347
N-[[6-[[[(1S,2S,4S)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 155167554
2-[3-(6-tert-butylimidazo[1,2-a]pyridin-2-yl)propanoyl]pyrido[1,2-a]pyrimidin-4-one
CID 170391559
2-[(4-hydroxypiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42883595
4-oxo-N-[[6-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]chromene-2-carboxamide
CID 155167641

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(4-tert-butylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[[6-[(4-tert-butylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (CID 155167642) is N-[[6-[(4-tert-butylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[[6-[(4-tert-butylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[[6-[(4-tert-butylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is CC(C)(C)C1CCN(Cc2ccc3nc(CNC(=O)c4cc(=O)n5ccccc5n4)cn3c2)CC1.
What is the InChIKey of N-[[6-[(4-tert-butylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is WDFQAELRFKCHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O2/c1-27(2,3)20-9-12-31(13-10-20)16-19-7-8-23-29-21(18-32(23)17-19)15-28-26(35)22-14-25(34)33-11-5-4-6-24(33)30-22/h4-8,11,14,17-18,20H,9-10,12-13,15-16H2,1-3H3,(H,28,35).
What are the key properties of N-[[6-[(4-tert-butylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
N-[[6-[(4-tert-butylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(4-tert-butylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 155167642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).