N-cyclopropyl-2-fluoro-4-methyl-5-[4-[6-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]benzamide

C26H28FN7O — CID 176570290

IUPACN-cyclopropyl-2-fluoro-4-methyl-5-[4-[6-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]benzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-n1cc(-c2cnc3ccc(C4CCN(C)CC4)cn23)nn1
InChIInChI=1S/C26H28FN7O/c1-16-11-21(27)20(26(35)29-19-4-5-19)12-23(16)34-15-22(30-31-34)24-13-28-25-6-3-18(14-33(24)25)17-7-9-32(2)10-8-17/h3,6,11-15,17,19H,4-5,7-10H2,1-2H3,(H,29,35)
InChIKeyNQPGSKKOVDBUHE-UHFFFAOYSA-N
MW473.56 g/mol
LogP3.73
Rot. Bonds5

About N-cyclopropyl-2-fluoro-4-methyl-5-[4-[6-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]benzamide

N-cyclopropyl-2-fluoro-4-methyl-5-[4-[6-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]benzamide (PubChem CID 176570290) has the molecular formula C26H28FN7O and a molecular weight of 473.56 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-4-methyl-5-[4-[6-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-4-methyl-5-[4-[6-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]benzamide
PubChem CID176570290
Molecular FormulaC26H28FN7O
Molecular Weight473.56 g/mol
Exact Mass473.23
IUPAC NameN-cyclopropyl-2-fluoro-4-methyl-5-[4-[6-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]benzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-n1cc(-c2cnc3ccc(C4CCN(C)CC4)cn23)nn1
InChIInChI=1S/C26H28FN7O/c1-16-11-21(27)20(26(35)29-19-4-5-19)12-23(16)34-15-22(30-31-34)24-13-28-25-6-3-18(14-33(24)25)17-7-9-32(2)10-8-17/h3,6,11-15,17,19H,4-5,7-10H2,1-2H3,(H,29,35)
InChIKeyNQPGSKKOVDBUHE-UHFFFAOYSA-N
XLogP3.73
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-2-fluoro-5-[4-[7-methoxy-6-[4-(2-methoxyethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]-4-methylbenzamide
CID 176570495
N-cyclopropyl-2-fluoro-5-[4-[7-methoxy-6-[2-(oxetan-3-ylmethylamino)ethylamino]imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]-4-methylbenzamide
CID 176570208
N-cyclopropyl-2-fluoro-5-[4-[7-methoxy-6-[4-[(2S)-2-methoxypropyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]-4-methylbenzamide
CID 176570448
5-[4-[5-(cyclobutylamino)-3-pyridinyl]triazol-1-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide
CID 176570121
N-cyclopropyl-5-[1-[6-[1-[2-(dimethylamino)prop-2-enyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
CID 160618013
tert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]pyrrolidine-1-carboxylate
CID 134328612
N-cyclopropyl-2-fluoro-5-[4-[7-methoxy-6-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)imidazo[1,2-a]pyridin-3-yl]-1,5-dihydropyrazol-2-yl]-4-methylbenzamide
CID 176570406
3-[4-(2-cyclopropyl-3-methylimidazol-4-yl)triazol-1-yl]-4-methylbenzoic acid;hydrochloride
CID 25112334
N-cyclobutyl-2-fluoro-5-hydroxy-4-methylbenzamide
CID 171906052
3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 134328512
2-fluoro-4-methyl-5-[4-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]benzamide
CID 176570428
5-amino-2-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 54917300

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-4-methyl-5-[4-[6-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]benzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-4-methyl-5-[4-[6-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]benzamide (CID 176570290) is N-cyclopropyl-2-fluoro-4-methyl-5-[4-[6-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-4-methyl-5-[4-[6-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-4-methyl-5-[4-[6-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]benzamide is Cc1cc(F)c(C(=O)NC2CC2)cc1-n1cc(-c2cnc3ccc(C4CCN(C)CC4)cn23)nn1.
What is the InChIKey of N-cyclopropyl-2-fluoro-4-methyl-5-[4-[6-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]benzamide?
The InChIKey is NQPGSKKOVDBUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7O/c1-16-11-21(27)20(26(35)29-19-4-5-19)12-23(16)34-15-22(30-31-34)24-13-28-25-6-3-18(14-33(24)25)17-7-9-32(2)10-8-17/h3,6,11-15,17,19H,4-5,7-10H2,1-2H3,(H,29,35).
What are the key properties of N-cyclopropyl-2-fluoro-4-methyl-5-[4-[6-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]benzamide?
N-cyclopropyl-2-fluoro-4-methyl-5-[4-[6-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]benzamide has a molecular weight of 473.56 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-4-methyl-5-[4-[6-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]benzamide is sourced from PubChem (CID 176570290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).