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

C32H39F2N5O2 — CID 178094000

IUPACN-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
SMILESC/C=C(\C=N\C(C)c1cnc2cc(OC)c(C3(F)CCN(CC)CC3)cn12)c1cc(C(=O)NC2CC2)c(F)cc1C
InChIInChI=1S/C32H39F2N5O2/c1-6-22(24-15-25(27(33)14-20(24)3)31(40)37-23-8-9-23)17-35-21(4)28-18-36-30-16-29(41-5)26(19-39(28)30)32(34)10-12-38(7-2)13-11-32/h6,14-19,21,23H,7-13H2,1-5H3,(H,37,40)/b22-6+,35-17+
InChIKeyBRSHGIMWPYQFIN-RYIUGDBBSA-N
MW563.69 g/mol
LogP6.20
Rot. Bonds9

About 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

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 (PubChem CID 178094000) has the molecular formula C32H39F2N5O2 and a molecular weight of 563.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID178094000
Molecular FormulaC32H39F2N5O2
Molecular Weight563.69 g/mol
Exact Mass563.31
IUPAC NameN-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
SMILESC/C=C(\C=N\C(C)c1cnc2cc(OC)c(C3(F)CCN(CC)CC3)cn12)c1cc(C(=O)NC2CC2)c(F)cc1C
InChIInChI=1S/C32H39F2N5O2/c1-6-22(24-15-25(27(33)14-20(24)3)31(40)37-23-8-9-23)17-35-21(4)28-18-36-30-16-29(41-5)26(19-39(28)30)32(34)10-12-38(7-2)13-11-32/h6,14-19,21,23H,7-13H2,1-5H3,(H,37,40)/b22-6+,35-17+
InChIKeyBRSHGIMWPYQFIN-RYIUGDBBSA-N
XLogP6.20
TPSA71.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.69
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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-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-[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-(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
N-cyclopropyl-2-(difluoromethoxy)-4-[7-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
CID 146273345
4-amino-N-(1-ethylazetidin-3-yl)-2-fluoro-5-methoxybenzamide
CID 89192526
ethyl 1-[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]-4-fluoropiperidine-4-carboxylate
CID 146273244
N-(1-ethylpiperidin-4-yl)-2,4-difluorobenzamide
CID 36811979
5-amino-N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide
CID 61138909
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-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 17249701
cis-(1R,3S)-3-[(2-fluoro-4,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677489

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C=C(\C=N\C(C)c1cnc2cc(OC)c(C3(F)CCN(CC)CC3)cn12)c1cc(C(=O)NC2CC2)c(F)cc1C.
What is the InChIKey of 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?
The InChIKey is BRSHGIMWPYQFIN-RYIUGDBBSA-N. The full InChI is InChI=1S/C32H39F2N5O2/c1-6-22(24-15-25(27(33)14-20(24)3)31(40)37-23-8-9-23)17-35-21(4)28-18-36-30-16-29(41-5)26(19-39(28)30)32(34)10-12-38(7-2)13-11-32/h6,14-19,21,23H,7-13H2,1-5H3,(H,37,40)/b22-6+,35-17+.
What are the key properties of 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?
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 has a molecular weight of 563.69 g/mol, XLogP of 6.20, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 178094000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).