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

C44H39N13 — CID 137390029

IUPAC6-[3-[3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2,2-dimethylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-cyano-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile
SMILESCc1nc2cc(-c3nc(C#N)ccc3-c3cnn(CCC(C)(C)C#N)c3)ccn2c1CC(C)(C)Cn1cc(-c2ccc(C#N)nc2-c2ccn3ccnc3c2)cn1
InChIInChI=1S/C44H39N13/c1-29-38(20-44(4,5)28-56-26-33(24-50-56)37-9-7-34(21-45)52-41(37)30-10-14-54-17-13-48-39(54)18-30)57-15-11-31(19-40(57)51-29)42-36(8-6-35(22-46)53-42)32-23-49-55(25-32)16-12-43(2,3)27-47/h6-11,13-15,17-19,23-26H,12,16,20,28H2,1-5H3
InChIKeyOUDYACKSGQDNJN-UHFFFAOYSA-N
MW749.89 g/mol
LogP8.09
Rot. Bonds11

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

6-[3-[3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2,2-dimethylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-cyano-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile (PubChem CID 137390029) has the molecular formula C44H39N13 and a molecular weight of 749.89 g/mol. Its IUPAC name is 6-[3-[3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2,2-dimethylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-cyano-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[3-[3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2,2-dimethylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-cyano-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile
PubChem CID137390029
Molecular FormulaC44H39N13
Molecular Weight749.89 g/mol
Exact Mass749.35
IUPAC Name6-[3-[3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2,2-dimethylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-cyano-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile
SMILESCc1nc2cc(-c3nc(C#N)ccc3-c3cnn(CCC(C)(C)C#N)c3)ccn2c1CC(C)(C)Cn1cc(-c2ccc(C#N)nc2-c2ccn3ccnc3c2)cn1
InChIInChI=1S/C44H39N13/c1-29-38(20-44(4,5)28-56-26-33(24-50-56)37-9-7-34(21-45)52-41(37)30-10-14-54-17-13-48-39(54)18-30)57-15-11-31(19-40(57)51-29)42-36(8-6-35(22-46)53-42)32-23-49-55(25-32)16-12-43(2,3)27-47/h6-11,13-15,17-19,23-26H,12,16,20,28H2,1-5H3
InChIKeyOUDYACKSGQDNJN-UHFFFAOYSA-N
XLogP8.09
TPSA167.39 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500749.89
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2,2-dimethylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-cyano-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[3-[3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2,2-dimethylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-cyano-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile (CID 137390029) is 6-[3-[3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2,2-dimethylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-cyano-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[3-[3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2,2-dimethylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-cyano-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[3-[3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2,2-dimethylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-cyano-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile is Cc1nc2cc(-c3nc(C#N)ccc3-c3cnn(CCC(C)(C)C#N)c3)ccn2c1CC(C)(C)Cn1cc(-c2ccc(C#N)nc2-c2ccn3ccnc3c2)cn1.
What is the InChIKey of 6-[3-[3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2,2-dimethylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-cyano-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile?
The InChIKey is OUDYACKSGQDNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H39N13/c1-29-38(20-44(4,5)28-56-26-33(24-50-56)37-9-7-34(21-45)52-41(37)30-10-14-54-17-13-48-39(54)18-30)57-15-11-31(19-40(57)51-29)42-36(8-6-35(22-46)53-42)32-23-49-55(25-32)16-12-43(2,3)27-47/h6-11,13-15,17-19,23-26H,12,16,20,28H2,1-5H3.
What are the key properties of 6-[3-[3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2,2-dimethylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-cyano-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile?
6-[3-[3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2,2-dimethylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-cyano-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile has a molecular weight of 749.89 g/mol, XLogP of 8.09, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2,2-dimethylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-cyano-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 137390029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).