6-[3-[2-cyano-3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2-methylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile

C43H36FN13 — CID 137391877

IUPAC6-[3-[2-cyano-3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2-methylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile
SMILESCc1nc2cc(-c3nc(C#N)ccc3-c3cnn(CCC(C)(C)F)c3)ccn2c1CC(C)(C#N)Cn1cc(-c2ccc(C#N)nc2-c2ccn3ccnc3c2)cn1
InChIInChI=1S/C43H36FN13/c1-28-37(57-14-10-30(18-39(57)51-28)41-35(7-5-34(21-46)53-41)31-22-49-55(24-31)15-11-42(2,3)44)19-43(4,26-47)27-56-25-32(23-50-56)36-8-6-33(20-45)52-40(36)29-9-13-54-16-12-48-38(54)17-29/h5-10,12-14,16-18,22-25H,11,15,19,27H2,1-4H3
InChIKeyINYCIIGVVFPPDQ-UHFFFAOYSA-N
MW753.85 g/mol
LogP7.80
Rot. Bonds11

About 6-[3-[2-cyano-3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2-methylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile

6-[3-[2-cyano-3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2-methylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile (PubChem CID 137391877) has the molecular formula C43H36FN13 and a molecular weight of 753.85 g/mol. Its IUPAC name is 6-[3-[2-cyano-3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2-methylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[3-[2-cyano-3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2-methylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile
PubChem CID137391877
Molecular FormulaC43H36FN13
Molecular Weight753.85 g/mol
Exact Mass753.32
IUPAC Name6-[3-[2-cyano-3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2-methylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile
SMILESCc1nc2cc(-c3nc(C#N)ccc3-c3cnn(CCC(C)(C)F)c3)ccn2c1CC(C)(C#N)Cn1cc(-c2ccc(C#N)nc2-c2ccn3ccnc3c2)cn1
InChIInChI=1S/C43H36FN13/c1-28-37(57-14-10-30(18-39(57)51-28)41-35(7-5-34(21-46)53-41)31-22-49-55(24-31)15-11-42(2,3)44)19-43(4,26-47)27-56-25-32(23-50-56)36-8-6-33(20-45)52-40(36)29-9-13-54-16-12-48-38(54)17-29/h5-10,12-14,16-18,22-25H,11,15,19,27H2,1-4H3
InChIKeyINYCIIGVVFPPDQ-UHFFFAOYSA-N
XLogP7.80
TPSA167.39 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500753.85
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 6-[3-[2-cyano-3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2-methylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile with MolForge

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Related Compounds

Savolitinib
CID 68289010
2-[2-[3-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]imidazo[1,2-a]pyridin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 71153166
6-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-piperidin-4-ylpyridin-2-amine
CID 44448973
3-(Imidazo[1,2-a]pyridin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
CID 53261691
5-[3-(Imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyridine-2-carbonitrile
CID 54759721
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine
CID 62706471
N-(3-fluoro-2-pyridyl)-5-[6-[(1-methyl-4-piperidyl)methyl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine
CID 66548925
1-[(1R)-1-Imidazo[1,2-a]pyridin-6-ylethyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-1,2,3-triazolo[4,5-b]pyrazine
CID 68353989
6-Methyl-8-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 139326715
2-[[4-[[2-(2-Fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]triazol-1-yl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 145968901
2-[[4-[[2-(2-Fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]triazol-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
CID 145970805
CID 146591648
CID 146591648

Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-cyano-3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2-methylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[3-[2-cyano-3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2-methylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile (CID 137391877) is 6-[3-[2-cyano-3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2-methylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[3-[2-cyano-3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2-methylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[3-[2-cyano-3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2-methylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile is Cc1nc2cc(-c3nc(C#N)ccc3-c3cnn(CCC(C)(C)F)c3)ccn2c1CC(C)(C#N)Cn1cc(-c2ccc(C#N)nc2-c2ccn3ccnc3c2)cn1.
What is the InChIKey of 6-[3-[2-cyano-3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2-methylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile?
The InChIKey is INYCIIGVVFPPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H36FN13/c1-28-37(57-14-10-30(18-39(57)51-28)41-35(7-5-34(21-46)53-41)31-22-49-55(24-31)15-11-42(2,3)44)19-43(4,26-47)27-56-25-32(23-50-56)36-8-6-33(20-45)52-40(36)29-9-13-54-16-12-48-38(54)17-29/h5-10,12-14,16-18,22-25H,11,15,19,27H2,1-4H3.
What are the key properties of 6-[3-[2-cyano-3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2-methylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile?
6-[3-[2-cyano-3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2-methylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile has a molecular weight of 753.85 g/mol, XLogP of 7.80, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-cyano-3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2-methylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 137391877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).