2-[7-cyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid

C17H15N5O3 — CID 118902668

IUPAC2-[7-cyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid
SMILESCNc1c(-c2cc3c(o2)CCN(C(=O)O)C3)nc2cc(C#N)ccn12
InChIInChI=1S/C17H15N5O3/c1-19-16-15(20-14-6-10(8-18)2-5-22(14)16)13-7-11-9-21(17(23)24)4-3-12(11)25-13/h2,5-7,19H,3-4,9H2,1H3,(H,23,24)
InChIKeyCEUZRTAWPDUOAD-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.54
Rot. Bonds2

About 2-[7-cyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid

2-[7-cyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid (PubChem CID 118902668) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2-[7-cyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-[7-cyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid
PubChem CID118902668
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC Name2-[7-cyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid
SMILESCNc1c(-c2cc3c(o2)CCN(C(=O)O)C3)nc2cc(C#N)ccn12
InChIInChI=1S/C17H15N5O3/c1-19-16-15(20-14-6-10(8-18)2-5-22(14)16)13-7-11-9-21(17(23)24)4-3-12(11)25-13/h2,5-7,19H,3-4,9H2,1H3,(H,23,24)
InChIKeyCEUZRTAWPDUOAD-UHFFFAOYSA-N
XLogP2.54
TPSA106.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-bromofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridine-7-carbonitrile
CID 118902672
2-(4-bromophenyl)-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid
CID 152754583
3-[2-[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]benzonitrile
CID 155529301
3-[2-[2-[[(3Z)-5-methylhexa-1,3,5-trien-2-yl]amino]pyrimidin-4-yl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-3-oxopropanenitrile
CID 144626569
4-[7-cyano-3-[[(2S)-4-methylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-ethyl-N-methylbenzamide
CID 144675161
2-chloro-1-(2-phenyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)ethanone
CID 166408897
2-phenyl-N-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxamide
CID 167914605
2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid
CID 91350154
3-[[6-(2,2-dimethylpropanoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]benzonitrile
CID 57389406
3-[[6-(3-methyloxetane-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]benzonitrile
CID 57388989
3-[[6-(3-methylpyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]benzonitrile
CID 57390057
4-cyano-2-(methylamino)benzoic acid
CID 130869011

Frequently Asked Questions

What is the IUPAC name of 2-[7-cyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid?
The IUPAC name of 2-[7-cyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid (CID 118902668) is 2-[7-cyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-[7-cyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid?
The canonical SMILES for 2-[7-cyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid is CNc1c(-c2cc3c(o2)CCN(C(=O)O)C3)nc2cc(C#N)ccn12.
What is the InChIKey of 2-[7-cyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid?
The InChIKey is CEUZRTAWPDUOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c1-19-16-15(20-14-6-10(8-18)2-5-22(14)16)13-7-11-9-21(17(23)24)4-3-12(11)25-13/h2,5-7,19H,3-4,9H2,1H3,(H,23,24).
What are the key properties of 2-[7-cyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid?
2-[7-cyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid has a molecular weight of 337.34 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-cyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 118902668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).