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

C28H33FN8O3 — CID 176570495

IUPACN-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
SMILESCOCCN1CCN(c2cn3c(-c4cn(-c5cc(C(=O)NC6CC6)c(F)cc5C)nn4)cnc3cc2OC)CC1
InChIInChI=1S/C28H33FN8O3/c1-18-12-21(29)20(28(38)31-19-4-5-19)13-23(18)37-16-22(32-33-37)24-15-30-27-14-26(40-3)25(17-36(24)27)35-8-6-34(7-9-35)10-11-39-2/h12-17,19H,4-11H2,1-3H3,(H,31,38)
InChIKeySKQTTYDLSZEENV-UHFFFAOYSA-N
MW548.62 g/mol
LogP2.70
Rot. Bonds9

About 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

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 (PubChem CID 176570495) has the molecular formula C28H33FN8O3 and a molecular weight of 548.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID176570495
Molecular FormulaC28H33FN8O3
Molecular Weight548.62 g/mol
Exact Mass548.27
IUPAC NameN-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
SMILESCOCCN1CCN(c2cn3c(-c4cn(-c5cc(C(=O)NC6CC6)c(F)cc5C)nn4)cnc3cc2OC)CC1
InChIInChI=1S/C28H33FN8O3/c1-18-12-21(29)20(28(38)31-19-4-5-19)13-23(18)37-16-22(32-33-37)24-15-30-27-14-26(40-3)25(17-36(24)27)35-8-6-34(7-9-35)10-11-39-2/h12-17,19H,4-11H2,1-3H3,(H,31,38)
InChIKeySKQTTYDLSZEENV-UHFFFAOYSA-N
XLogP2.70
TPSA102.05 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.62
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

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
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-4-methyl-5-[4-[6-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]benzamide
CID 176570290
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
5-[4-[5-(cyclobutylamino)-3-pyridinyl]triazol-1-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide
CID 176570121
N-cyclopropyl-2-fluoro-5-[4-[7-methoxy-6-[2-(oxetan-2-ylmethylamino)ethylamino]imidazo[1,2-a]pyridin-3-yl]-4,5-dihydrotriazol-1-yl]-4-methylbenzamide
CID 176570450
N-cyclopropyl-5-[(Z)-1-[1-[6-(1-ethyl-4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]ethylimino]but-2-en-2-yl]-2-fluoro-4-methylbenzamide
CID 178094000
2,5-difluoro-N-(4-methoxycyclohexyl)-4-methylbenzamide
CID 136547195
N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride
CID 134328578
N-[1-(2-methoxyethyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 71784704
N-[4-[2-[4-[4-(2,6-dioxopiperidin-3-yl)-3-methylphenyl]piperazin-1-yl]ethyl]cyclohexyl]-2-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 176797258
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 146273484

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCCN1CCN(c2cn3c(-c4cn(-c5cc(C(=O)NC6CC6)c(F)cc5C)nn4)cnc3cc2OC)CC1.
What is the InChIKey of 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?
The InChIKey is SKQTTYDLSZEENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN8O3/c1-18-12-21(29)20(28(38)31-19-4-5-19)13-23(18)37-16-22(32-33-37)24-15-30-27-14-26(40-3)25(17-36(24)27)35-8-6-34(7-9-35)10-11-39-2/h12-17,19H,4-11H2,1-3H3,(H,31,38).
What are the key properties of 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?
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 has a molecular weight of 548.62 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176570495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).