benzyl N-[3-[4-(5-acetyl-2-chloro-4-fluorophenyl)pyrazol-1-yl]imidazo[1,2-a]pyridin-8-yl]carbamate

C26H19ClFN5O3 — CID 155015435

IUPACbenzyl N-[3-[4-(5-acetyl-2-chloro-4-fluorophenyl)pyrazol-1-yl]imidazo[1,2-a]pyridin-8-yl]carbamate
SMILESCC(=O)c1cc(-c2cnn(-c3cnc4c(NC(=O)OCc5ccccc5)cccn34)c2)c(Cl)cc1F
InChIInChI=1S/C26H19ClFN5O3/c1-16(34)19-10-20(21(27)11-22(19)28)18-12-30-33(14-18)24-13-29-25-23(8-5-9-32(24)25)31-26(35)36-15-17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H,31,35)
InChIKeyHPTLVFCEKDMGBB-UHFFFAOYSA-N
MW503.92 g/mol
LogP5.93
Rot. Bonds6

About benzyl N-[3-[4-(5-acetyl-2-chloro-4-fluorophenyl)pyrazol-1-yl]imidazo[1,2-a]pyridin-8-yl]carbamate

benzyl N-[3-[4-(5-acetyl-2-chloro-4-fluorophenyl)pyrazol-1-yl]imidazo[1,2-a]pyridin-8-yl]carbamate (PubChem CID 155015435) has the molecular formula C26H19ClFN5O3 and a molecular weight of 503.92 g/mol. Its IUPAC name is benzyl N-[3-[4-(5-acetyl-2-chloro-4-fluorophenyl)pyrazol-1-yl]imidazo[1,2-a]pyridin-8-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[4-(5-acetyl-2-chloro-4-fluorophenyl)pyrazol-1-yl]imidazo[1,2-a]pyridin-8-yl]carbamate
PubChem CID155015435
Molecular FormulaC26H19ClFN5O3
Molecular Weight503.92 g/mol
Exact Mass503.12
IUPAC Namebenzyl N-[3-[4-(5-acetyl-2-chloro-4-fluorophenyl)pyrazol-1-yl]imidazo[1,2-a]pyridin-8-yl]carbamate
SMILESCC(=O)c1cc(-c2cnn(-c3cnc4c(NC(=O)OCc5ccccc5)cccn34)c2)c(Cl)cc1F
InChIInChI=1S/C26H19ClFN5O3/c1-16(34)19-10-20(21(27)11-22(19)28)18-12-30-33(14-18)24-13-29-25-23(8-5-9-32(24)25)31-26(35)36-15-17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H,31,35)
InChIKeyHPTLVFCEKDMGBB-UHFFFAOYSA-N
XLogP5.93
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.92
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

benzyl N-(4-amino-5-fluoro-2-pyridinyl)carbamate
CID 130287830
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
2-[2-(4-chlorophenyl)-6-oxo-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]acetic acid
CID 10093188
benzyl N-[9-[[2-(4-fluorophenyl)-2-oxoethyl]carbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]carbamate
CID 44783180
4-chloro-2-(phenylmethoxycarbonylamino)benzoic acid
CID 29299845
2-methylbutan-2-yl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-(phenylmethoxycarbonylamino)indol-1-yl]acetate
CID 135171850
benzyl N-(5-bromo-2-chloro-3-pyridinyl)carbamate
CID 130581136
6-chloro-5-(phenylmethoxycarbonylamino)indazole-2-carboxylic acid
CID 118173050
3-(phenylmethoxycarbonylamino)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 165478092
5-amino-2-chloro-4-(phenylmethoxycarbonylamino)benzoic acid
CID 20636250
benzyl N-(2-fluoro-3-hydroxyphenyl)carbamate
CID 125116618
benzyl 2-chloro-5-(dimethylcarbamoylamino)-4-fluorobenzoate
CID 67621988

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[4-(5-acetyl-2-chloro-4-fluorophenyl)pyrazol-1-yl]imidazo[1,2-a]pyridin-8-yl]carbamate?
The IUPAC name of benzyl N-[3-[4-(5-acetyl-2-chloro-4-fluorophenyl)pyrazol-1-yl]imidazo[1,2-a]pyridin-8-yl]carbamate (CID 155015435) is benzyl N-[3-[4-(5-acetyl-2-chloro-4-fluorophenyl)pyrazol-1-yl]imidazo[1,2-a]pyridin-8-yl]carbamate.
What is the SMILES notation for benzyl N-[3-[4-(5-acetyl-2-chloro-4-fluorophenyl)pyrazol-1-yl]imidazo[1,2-a]pyridin-8-yl]carbamate?
The canonical SMILES for benzyl N-[3-[4-(5-acetyl-2-chloro-4-fluorophenyl)pyrazol-1-yl]imidazo[1,2-a]pyridin-8-yl]carbamate is CC(=O)c1cc(-c2cnn(-c3cnc4c(NC(=O)OCc5ccccc5)cccn34)c2)c(Cl)cc1F.
What is the InChIKey of benzyl N-[3-[4-(5-acetyl-2-chloro-4-fluorophenyl)pyrazol-1-yl]imidazo[1,2-a]pyridin-8-yl]carbamate?
The InChIKey is HPTLVFCEKDMGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClFN5O3/c1-16(34)19-10-20(21(27)11-22(19)28)18-12-30-33(14-18)24-13-29-25-23(8-5-9-32(24)25)31-26(35)36-15-17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H,31,35).
What are the key properties of benzyl N-[3-[4-(5-acetyl-2-chloro-4-fluorophenyl)pyrazol-1-yl]imidazo[1,2-a]pyridin-8-yl]carbamate?
benzyl N-[3-[4-(5-acetyl-2-chloro-4-fluorophenyl)pyrazol-1-yl]imidazo[1,2-a]pyridin-8-yl]carbamate has a molecular weight of 503.92 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[4-(5-acetyl-2-chloro-4-fluorophenyl)pyrazol-1-yl]imidazo[1,2-a]pyridin-8-yl]carbamate is sourced from PubChem (CID 155015435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).