2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide

C14H14ClN5OS — CID 70721834

IUPAC2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1c(N)nc2cc(C(=O)NCc3ccc(Cl)s3)cnc21
InChIInChI=1S/C14H14ClN5OS/c1-2-20-12-10(19-14(20)16)5-8(6-17-12)13(21)18-7-9-3-4-11(15)22-9/h3-6H,2,7H2,1H3,(H2,16,19)(H,18,21)
InChIKeyMOORJUKYGLRQEL-UHFFFAOYSA-N
MW335.82 g/mol
LogP2.68
Rot. Bonds4

About 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide

2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 70721834) has the molecular formula C14H14ClN5OS and a molecular weight of 335.82 g/mol. Its IUPAC name is 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID70721834
Molecular FormulaC14H14ClN5OS
Molecular Weight335.82 g/mol
Exact Mass335.06
IUPAC Name2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1c(N)nc2cc(C(=O)NCc3ccc(Cl)s3)cnc21
InChIInChI=1S/C14H14ClN5OS/c1-2-20-12-10(19-14(20)16)5-8(6-17-12)13(21)18-7-9-3-4-11(15)22-9/h3-6H,2,7H2,1H3,(H2,16,19)(H,18,21)
InChIKeyMOORJUKYGLRQEL-UHFFFAOYSA-N
XLogP2.68
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide with MolForge

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Related Compounds

2-amino-3-ethyl-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70704639
2-amino-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
CID 70739341
2-amino-3-ethyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70746816
2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
CID 70755416
2-amino-N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
CID 70782320
2-amino-3-ethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70715990
2-amino-3-ethyl-N-[4-(methylamino)-4-oxobutyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70738438
2-amino-3-ethyl-N-[2-(2-hydroxyethoxy)ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70739374
2-amino-N-[3-(1,3-benzoxazol-2-yl)propyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
CID 70708622
2-amino-N-[(1,5-dimethylindazol-3-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
CID 70706243
2-amino-3-ethyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70713455
2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
CID 70738655

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide (CID 70721834) is 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide is CCn1c(N)nc2cc(C(=O)NCc3ccc(Cl)s3)cnc21.
What is the InChIKey of 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is MOORJUKYGLRQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5OS/c1-2-20-12-10(19-14(20)16)5-8(6-17-12)13(21)18-7-9-3-4-11(15)22-9/h3-6H,2,7H2,1H3,(H2,16,19)(H,18,21).
What are the key properties of 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide?
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 335.82 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 70721834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).