6-[3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylic acid;6-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile

C38H24F2N10O3 — CID 160621459

IUPAC6-[3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylic acid;6-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1cnc2ccc(-c3cccnc3-c3cccc(C(F)F)n3)cn12.NC(=O)c1cnc2ccc(-c3cccnc3-c3ccc(C(=O)O)cn3)cn12
InChIInChI=1S/C19H11F2N5.C19H13N5O3/c20-19(21)16-5-1-4-15(25-16)18-14(3-2-8-23-18)12-6-7-17-24-10-13(9-22)26(17)11-12;20-18(25)15-9-23-16-6-4-12(10-24(15)16)13-2-1-7-21-17(13)14-5-3-11(8-22-14)19(26)27/h1-8,10-11,19H;1-10H,(H2,20,25)(H,26,27)
InChIKeyRGTHFAUZIHIEQJ-UHFFFAOYSA-N
MW706.67 g/mol
LogP6.52
Rot. Bonds7

About 6-[3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylic acid;6-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile

6-[3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylic acid;6-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 160621459) has the molecular formula C38H24F2N10O3 and a molecular weight of 706.67 g/mol. Its IUPAC name is 6-[3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylic acid;6-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylic acid;6-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID160621459
Molecular FormulaC38H24F2N10O3
Molecular Weight706.67 g/mol
Exact Mass706.20
IUPAC Name6-[3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylic acid;6-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1cnc2ccc(-c3cccnc3-c3cccc(C(F)F)n3)cn12.NC(=O)c1cnc2ccc(-c3cccnc3-c3ccc(C(=O)O)cn3)cn12
InChIInChI=1S/C19H11F2N5.C19H13N5O3/c20-19(21)16-5-1-4-15(25-16)18-14(3-2-8-23-18)12-6-7-17-24-10-13(9-22)26(17)11-12;20-18(25)15-9-23-16-6-4-12(10-24(15)16)13-2-1-7-21-17(13)14-5-3-11(8-22-14)19(26)27/h1-8,10-11,19H;1-10H,(H2,20,25)(H,26,27)
InChIKeyRGTHFAUZIHIEQJ-UHFFFAOYSA-N
XLogP6.52
TPSA190.34 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500706.67
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-[3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylic acid;6-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile with MolForge

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Related Compounds

4-(5-(2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)picolinamido)-3-fluorobenzoic acid
CID 176268168
US9981944, Example 25
CID 122478385
US9981944, Example 26
CID 122478540
3-[1-({5-Cyano-4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amino)ethyl] benzoic acid
CID 68686803
2-(6-Fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylic acid
CID 70922004
2-(5-Fluoro-2-(hydroxymethyl)-3-(8-(5-(4-methylpiperazin-1-yl)pyridin-2-ylamino)imidazo[1,2-a]pyridin-6-yl)phenyl)-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1(2H)-one
CID 71553863
2-(5-Fluoro-2-(hydroxymethyl)-3-(8-(5-(4-methylpiperazin-1-yl)pyridin-2-ylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1(2H)-one
CID 71559324
N-(2,2-difluoroethyl)-6-[2-(6-methylpyridin-2-yl)pyridin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methylpyridin-2-yl)pyridin-3-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 122478588
Methyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methylpyridin-2-yl)pyridine-4-carboxylate;6-[2-(6-methylpyridin-2-yl)-6-(trifluoromethyl)pyridin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 134533156
5-[5-(4,4-Difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxylic acid
CID 156810783
6-[2-[6-(Difluoromethyl)pyridin-2-yl]pyridin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-ethylpyridin-2-yl)pyridin-3-yl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 157615839
N-phenyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 159005476

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylic acid;6-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylic acid;6-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile (CID 160621459) is 6-[3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylic acid;6-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylic acid;6-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylic acid;6-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile is N#Cc1cnc2ccc(-c3cccnc3-c3cccc(C(F)F)n3)cn12.NC(=O)c1cnc2ccc(-c3cccnc3-c3ccc(C(=O)O)cn3)cn12.
What is the InChIKey of 6-[3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylic acid;6-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is RGTHFAUZIHIEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F2N5.C19H13N5O3/c20-19(21)16-5-1-4-15(25-16)18-14(3-2-8-23-18)12-6-7-17-24-10-13(9-22)26(17)11-12;20-18(25)15-9-23-16-6-4-12(10-24(15)16)13-2-1-7-21-17(13)14-5-3-11(8-22-14)19(26)27/h1-8,10-11,19H;1-10H,(H2,20,25)(H,26,27).
What are the key properties of 6-[3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylic acid;6-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile?
6-[3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylic acid;6-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 706.67 g/mol, XLogP of 6.52, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylic acid;6-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 160621459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).