N-(5-chloro-2-pyridinyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide

C19H16ClN5OS — CID 20867637

IUPACN-(5-chloro-2-pyridinyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESO=C(CCc1nc2cccnc2n1Cc1cccs1)Nc1ccc(Cl)cn1
InChIInChI=1S/C19H16ClN5OS/c20-13-5-6-16(22-11-13)24-18(26)8-7-17-23-15-4-1-9-21-19(15)25(17)12-14-3-2-10-27-14/h1-6,9-11H,7-8,12H2,(H,22,24,26)
InChIKeyGAUPOZKQDATVDP-UHFFFAOYSA-N
MW397.89 g/mol
LogP4.16
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide

N-(5-chloro-2-pyridinyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide (PubChem CID 20867637) has the molecular formula C19H16ClN5OS and a molecular weight of 397.89 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
PubChem CID20867637
Molecular FormulaC19H16ClN5OS
Molecular Weight397.89 g/mol
Exact Mass397.08
IUPAC NameN-(5-chloro-2-pyridinyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESO=C(CCc1nc2cccnc2n1Cc1cccs1)Nc1ccc(Cl)cn1
InChIInChI=1S/C19H16ClN5OS/c20-13-5-6-16(22-11-13)24-18(26)8-7-17-23-15-4-1-9-21-19(15)25(17)12-14-3-2-10-27-14/h1-6,9-11H,7-8,12H2,(H,22,24,26)
InChIKeyGAUPOZKQDATVDP-UHFFFAOYSA-N
XLogP4.16
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.89
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dimethylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
CID 20867634
N-(3-chloro-4-methylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
CID 20867614
ethyl 3-[3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanoylamino]benzoate
CID 20867609
3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide
CID 20867618
N-(4-methoxyphenyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 20867188
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 46360068
3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79289173
N-(1,3-oxazol-2-yl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122445596
3-[3-[(4-bromophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[1-(4-chlorophenyl)ethyl]propanamide
CID 174235379
(2R)-N-(5-chloro-2-pyridinyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 30956228
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 22582716
(E)-but-2-enedioic acid;2-(piperidin-4-ylmethyl)-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 157474822

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide (CID 20867637) is N-(5-chloro-2-pyridinyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide is O=C(CCc1nc2cccnc2n1Cc1cccs1)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?
The InChIKey is GAUPOZKQDATVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5OS/c20-13-5-6-16(22-11-13)24-18(26)8-7-17-23-15-4-1-9-21-19(15)25(17)12-14-3-2-10-27-14/h1-6,9-11H,7-8,12H2,(H,22,24,26).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?
N-(5-chloro-2-pyridinyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide has a molecular weight of 397.89 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide is sourced from PubChem (CID 20867637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).