5-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-6-[7-[3-[4-[2-[2-[2-[4-[5-fluoro-4-(2-imidazo[1,2-a]pyridin-7-yl-6-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylbutyl]cyclopropyl]-3-oxo-1H-isoindol-5-yl]-6-methyl-3-pyridinyl]pyrazol-1-yl]-2-methylpropyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile

C68H65F3N14O2 — CID 137390007

IUPAC5-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-6-[7-[3-[4-[2-[2-[2-[4-[5-fluoro-4-(2-imidazo[1,2-a]pyridin-7-yl-6-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylbutyl]cyclopropyl]-3-oxo-1H-isoindol-5-yl]-6-methyl-3-pyridinyl]pyrazol-1-yl]-2-methylpropyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile
SMILESCc1ccc(-c2cnn(CC(C)Cc3cc(-c4nc(C#N)ccc4-c4cnn(CC(C)(C)C(F)F)c4)cc4c3CN(C)C4=O)c2)c(-c2ccc3c(c2)C(=O)N(C2CC2CC(C)CCn2ncc(-c4ccc(C)nc4-c4ccn5ccnc5c4)c2F)C3)n1
InChIInChI=1S/C68H65F3N14O2/c1-39(16-20-85-64(69)57(32-76-85)54-14-9-42(4)78-62(54)44-17-19-81-21-18-73-60(81)28-44)22-47-27-59(47)84-36-45-11-10-43(25-55(45)66(84)87)61-52(13-8-41(3)77-61)49-30-74-82(34-49)33-40(2)23-46-24-48(26-56-58(46)37-80(7)65(56)86)63-53(15-12-51(29-72)79-63)50-31-75-83(35-50)38-68(5,6)67(70)71/h8-15,17-19,21,24-26,28,30-32,34-35,39-40,47,59,67H,16,20,22-23,27,33,36-38H2,1-7H3
InChIKeyBCZIATPIGNRLPU-UHFFFAOYSA-N
MW1167.36 g/mol
LogP12.95
Rot. Bonds19

About 5-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-6-[7-[3-[4-[2-[2-[2-[4-[5-fluoro-4-(2-imidazo[1,2-a]pyridin-7-yl-6-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylbutyl]cyclopropyl]-3-oxo-1H-isoindol-5-yl]-6-methyl-3-pyridinyl]pyrazol-1-yl]-2-methylpropyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile

5-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-6-[7-[3-[4-[2-[2-[2-[4-[5-fluoro-4-(2-imidazo[1,2-a]pyridin-7-yl-6-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylbutyl]cyclopropyl]-3-oxo-1H-isoindol-5-yl]-6-methyl-3-pyridinyl]pyrazol-1-yl]-2-methylpropyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile (PubChem CID 137390007) has the molecular formula C68H65F3N14O2 and a molecular weight of 1167.36 g/mol. Its IUPAC name is 5-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-6-[7-[3-[4-[2-[2-[2-[4-[5-fluoro-4-(2-imidazo[1,2-a]pyridin-7-yl-6-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylbutyl]cyclopropyl]-3-oxo-1H-isoindol-5-yl]-6-methyl-3-pyridinyl]pyrazol-1-yl]-2-methylpropyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-6-[7-[3-[4-[2-[2-[2-[4-[5-fluoro-4-(2-imidazo[1,2-a]pyridin-7-yl-6-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylbutyl]cyclopropyl]-3-oxo-1H-isoindol-5-yl]-6-methyl-3-pyridinyl]pyrazol-1-yl]-2-methylpropyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile
PubChem CID137390007
Molecular FormulaC68H65F3N14O2
Molecular Weight1167.36 g/mol
Exact Mass1166.54
IUPAC Name5-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-6-[7-[3-[4-[2-[2-[2-[4-[5-fluoro-4-(2-imidazo[1,2-a]pyridin-7-yl-6-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylbutyl]cyclopropyl]-3-oxo-1H-isoindol-5-yl]-6-methyl-3-pyridinyl]pyrazol-1-yl]-2-methylpropyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile
SMILESCc1ccc(-c2cnn(CC(C)Cc3cc(-c4nc(C#N)ccc4-c4cnn(CC(C)(C)C(F)F)c4)cc4c3CN(C)C4=O)c2)c(-c2ccc3c(c2)C(=O)N(C2CC2CC(C)CCn2ncc(-c4ccc(C)nc4-c4ccn5ccnc5c4)c2F)C3)n1
InChIInChI=1S/C68H65F3N14O2/c1-39(16-20-85-64(69)57(32-76-85)54-14-9-42(4)78-62(54)44-17-19-81-21-18-73-60(81)28-44)22-47-27-59(47)84-36-45-11-10-43(25-55(45)66(84)87)61-52(13-8-41(3)77-61)49-30-74-82(34-49)33-40(2)23-46-24-48(26-56-58(46)37-80(7)65(56)86)63-53(15-12-51(29-72)79-63)50-31-75-83(35-50)38-68(5,6)67(70)71/h8-15,17-19,21,24-26,28,30-32,34-35,39-40,47,59,67H,16,20,22-23,27,33,36-38H2,1-7H3
InChIKeyBCZIATPIGNRLPU-UHFFFAOYSA-N
XLogP12.95
TPSA173.84 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001167.36
LogP ≤ 512.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 5-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-6-[7-[3-[4-[2-[2-[2-[4-[5-fluoro-4-(2-imidazo[1,2-a]pyridin-7-yl-6-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylbutyl]cyclopropyl]-3-oxo-1H-isoindol-5-yl]-6-methyl-3-pyridinyl]pyrazol-1-yl]-2-methylpropyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-6-[7-[3-[4-[2-[2-[2-[4-[5-fluoro-4-(2-imidazo[1,2-a]pyridin-7-yl-6-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylbutyl]cyclopropyl]-3-oxo-1H-isoindol-5-yl]-6-methyl-3-pyridinyl]pyrazol-1-yl]-2-methylpropyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-6-[7-[3-[4-[2-[2-[2-[4-[5-fluoro-4-(2-imidazo[1,2-a]pyridin-7-yl-6-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylbutyl]cyclopropyl]-3-oxo-1H-isoindol-5-yl]-6-methyl-3-pyridinyl]pyrazol-1-yl]-2-methylpropyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile (CID 137390007) is 5-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-6-[7-[3-[4-[2-[2-[2-[4-[5-fluoro-4-(2-imidazo[1,2-a]pyridin-7-yl-6-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylbutyl]cyclopropyl]-3-oxo-1H-isoindol-5-yl]-6-methyl-3-pyridinyl]pyrazol-1-yl]-2-methylpropyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-6-[7-[3-[4-[2-[2-[2-[4-[5-fluoro-4-(2-imidazo[1,2-a]pyridin-7-yl-6-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylbutyl]cyclopropyl]-3-oxo-1H-isoindol-5-yl]-6-methyl-3-pyridinyl]pyrazol-1-yl]-2-methylpropyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-6-[7-[3-[4-[2-[2-[2-[4-[5-fluoro-4-(2-imidazo[1,2-a]pyridin-7-yl-6-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylbutyl]cyclopropyl]-3-oxo-1H-isoindol-5-yl]-6-methyl-3-pyridinyl]pyrazol-1-yl]-2-methylpropyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile is Cc1ccc(-c2cnn(CC(C)Cc3cc(-c4nc(C#N)ccc4-c4cnn(CC(C)(C)C(F)F)c4)cc4c3CN(C)C4=O)c2)c(-c2ccc3c(c2)C(=O)N(C2CC2CC(C)CCn2ncc(-c4ccc(C)nc4-c4ccn5ccnc5c4)c2F)C3)n1.
What is the InChIKey of 5-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-6-[7-[3-[4-[2-[2-[2-[4-[5-fluoro-4-(2-imidazo[1,2-a]pyridin-7-yl-6-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylbutyl]cyclopropyl]-3-oxo-1H-isoindol-5-yl]-6-methyl-3-pyridinyl]pyrazol-1-yl]-2-methylpropyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile?
The InChIKey is BCZIATPIGNRLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H65F3N14O2/c1-39(16-20-85-64(69)57(32-76-85)54-14-9-42(4)78-62(54)44-17-19-81-21-18-73-60(81)28-44)22-47-27-59(47)84-36-45-11-10-43(25-55(45)66(84)87)61-52(13-8-41(3)77-61)49-30-74-82(34-49)33-40(2)23-46-24-48(26-56-58(46)37-80(7)65(56)86)63-53(15-12-51(29-72)79-63)50-31-75-83(35-50)38-68(5,6)67(70)71/h8-15,17-19,21,24-26,28,30-32,34-35,39-40,47,59,67H,16,20,22-23,27,33,36-38H2,1-7H3.
What are the key properties of 5-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-6-[7-[3-[4-[2-[2-[2-[4-[5-fluoro-4-(2-imidazo[1,2-a]pyridin-7-yl-6-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylbutyl]cyclopropyl]-3-oxo-1H-isoindol-5-yl]-6-methyl-3-pyridinyl]pyrazol-1-yl]-2-methylpropyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile?
5-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-6-[7-[3-[4-[2-[2-[2-[4-[5-fluoro-4-(2-imidazo[1,2-a]pyridin-7-yl-6-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylbutyl]cyclopropyl]-3-oxo-1H-isoindol-5-yl]-6-methyl-3-pyridinyl]pyrazol-1-yl]-2-methylpropyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile has a molecular weight of 1167.36 g/mol, XLogP of 12.95, 19 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-6-[7-[3-[4-[2-[2-[2-[4-[5-fluoro-4-(2-imidazo[1,2-a]pyridin-7-yl-6-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylbutyl]cyclopropyl]-3-oxo-1H-isoindol-5-yl]-6-methyl-3-pyridinyl]pyrazol-1-yl]-2-methylpropyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 137390007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).