[(1S)-1-[3-(4-chlorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamic acid

C15H13ClN4O2 — CID 141346004

IUPAC[(1S)-1-[3-(4-chlorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamic acid
SMILESC[C@H](NC(=O)O)c1nc2cccnc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN4O2/c1-9(18-15(21)22)13-19-12-3-2-8-17-14(12)20(13)11-6-4-10(16)5-7-11/h2-9,18H,1H3,(H,21,22)/t9-/m0/s1
InChIKeySDIPHAKDENJJRK-VIFPVBQESA-N
MW316.75 g/mol
LogP3.40
Rot. Bonds3

About [(1S)-1-[3-(4-chlorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamic acid

[(1S)-1-[3-(4-chlorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamic acid (PubChem CID 141346004) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is [(1S)-1-[3-(4-chlorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamic acid.

Molecular Properties

Compound Name[(1S)-1-[3-(4-chlorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamic acid
PubChem CID141346004
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC Name[(1S)-1-[3-(4-chlorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamic acid
SMILESC[C@H](NC(=O)O)c1nc2cccnc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN4O2/c1-9(18-15(21)22)13-19-12-3-2-8-17-14(12)20(13)11-6-4-10(16)5-7-11/h2-9,18H,1H3,(H,21,22)/t9-/m0/s1
InChIKeySDIPHAKDENJJRK-VIFPVBQESA-N
XLogP3.40
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-1-(3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamic acid
CID 141346036
2-(1-chloroethyl)-3-phenylimidazo[4,5-b]pyridine
CID 79290021
1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethylcarbamic acid
CID 174216623
3-(4-methoxyphenyl)-2-propan-2-ylimidazo[4,5-b]pyridine
CID 117166531
N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]acetamide
CID 110225702
3-(4-chlorophenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one
CID 66690616
4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)benzonitrile
CID 59706942
2-[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-N-propan-2-ylacetamide
CID 20916212
2-(1-chloroethyl)-3-(4-propylphenyl)imidazo[4,5-b]pyridine
CID 79274024
10-(4-chlorophenyl)pyrido[3,2-g]pteridine-2,4-dione
CID 629679
1-[5-chloro-3-(4-fluoro-3-methoxyphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid
CID 90235723
(2S)-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide
CID 14390407

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[3-(4-chlorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamic acid?
The IUPAC name of [(1S)-1-[3-(4-chlorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamic acid (CID 141346004) is [(1S)-1-[3-(4-chlorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamic acid.
What is the SMILES notation for [(1S)-1-[3-(4-chlorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamic acid?
The canonical SMILES for [(1S)-1-[3-(4-chlorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamic acid is C[C@H](NC(=O)O)c1nc2cccnc2n1-c1ccc(Cl)cc1.
What is the InChIKey of [(1S)-1-[3-(4-chlorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamic acid?
The InChIKey is SDIPHAKDENJJRK-VIFPVBQESA-N. The full InChI is InChI=1S/C15H13ClN4O2/c1-9(18-15(21)22)13-19-12-3-2-8-17-14(12)20(13)11-6-4-10(16)5-7-11/h2-9,18H,1H3,(H,21,22)/t9-/m0/s1.
What are the key properties of [(1S)-1-[3-(4-chlorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamic acid?
[(1S)-1-[3-(4-chlorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamic acid has a molecular weight of 316.75 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[3-(4-chlorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamic acid is sourced from PubChem (CID 141346004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).