3-amino-5-[1-[[2-[5-[6-(fluoromethyl)-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methyl-3-oxo-1H-isoindol-1-yl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-[1-[3-[[4-[5-fluoro-2-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-3-methylcyclopentyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile

C74H74F2N14O3 — CID 129301814

IUPAC3-amino-5-[1-[[2-[5-[6-(fluoromethyl)-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methyl-3-oxo-1H-isoindol-1-yl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-[1-[3-[[4-[5-fluoro-2-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-3-methylcyclopentyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile
SMILESCN1Cc2ccc(-c3ncc(F)cc3-c3cnn(CC4(C)CCC(C5c6ccc(-c7nc(C#N)c(N)cc7-c7cnn(CC8(C)CCCC8C8c9ccc(-c%10nc(CF)ccc%10-c%10cnn(CC%11(C)CCCC%11)c%10)cc9C(=O)N8C)c7)cc6C(=O)N5C)C4)c3)cc2C1=O
InChIInChI=1S/C74H74F2N14O3/c1-72(20-7-8-21-72)40-88-37-48(32-80-88)53-18-15-52(30-75)83-65(53)44-14-17-55-60(25-44)71(93)87(6)68(55)61-10-9-22-74(61,3)42-90-39-50(34-82-90)57-28-62(78)63(31-77)84-66(57)45-13-16-54-59(26-45)70(92)86(5)67(54)46-19-23-73(2,29-46)41-89-38-49(33-81-89)56-27-51(76)35-79-64(56)43-11-12-47-36-85(4)69(91)58(47)24-43/h11-18,24-28,32-35,37-39,46,61,67-68H,7-10,19-23,29-30,36,40-42,78H2,1-6H3
InChIKeyOZRWROXYFCLLMG-UHFFFAOYSA-N
MW1245.50 g/mol
LogP13.96
Rot. Bonds15

About 3-amino-5-[1-[[2-[5-[6-(fluoromethyl)-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methyl-3-oxo-1H-isoindol-1-yl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-[1-[3-[[4-[5-fluoro-2-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-3-methylcyclopentyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile

3-amino-5-[1-[[2-[5-[6-(fluoromethyl)-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methyl-3-oxo-1H-isoindol-1-yl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-[1-[3-[[4-[5-fluoro-2-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-3-methylcyclopentyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile (PubChem CID 129301814) has the molecular formula C74H74F2N14O3 and a molecular weight of 1245.50 g/mol. Its IUPAC name is 3-amino-5-[1-[[2-[5-[6-(fluoromethyl)-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methyl-3-oxo-1H-isoindol-1-yl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-[1-[3-[[4-[5-fluoro-2-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-3-methylcyclopentyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[1-[[2-[5-[6-(fluoromethyl)-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methyl-3-oxo-1H-isoindol-1-yl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-[1-[3-[[4-[5-fluoro-2-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-3-methylcyclopentyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile
PubChem CID129301814
Molecular FormulaC74H74F2N14O3
Molecular Weight1245.50 g/mol
Exact Mass1244.60
IUPAC Name3-amino-5-[1-[[2-[5-[6-(fluoromethyl)-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methyl-3-oxo-1H-isoindol-1-yl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-[1-[3-[[4-[5-fluoro-2-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-3-methylcyclopentyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile
SMILESCN1Cc2ccc(-c3ncc(F)cc3-c3cnn(CC4(C)CCC(C5c6ccc(-c7nc(C#N)c(N)cc7-c7cnn(CC8(C)CCCC8C8c9ccc(-c%10nc(CF)ccc%10-c%10cnn(CC%11(C)CCCC%11)c%10)cc9C(=O)N8C)c7)cc6C(=O)N5C)C4)c3)cc2C1=O
InChIInChI=1S/C74H74F2N14O3/c1-72(20-7-8-21-72)40-88-37-48(32-80-88)53-18-15-52(30-75)83-65(53)44-14-17-55-60(25-44)71(93)87(6)68(55)61-10-9-22-74(61,3)42-90-39-50(34-82-90)57-28-62(78)63(31-77)84-66(57)45-13-16-54-59(26-45)70(92)86(5)67(54)46-19-23-73(2,29-46)41-89-38-49(33-81-89)56-27-51(76)35-79-64(56)43-11-12-47-36-85(4)69(91)58(47)24-43/h11-18,24-28,32-35,37-39,46,61,67-68H,7-10,19-23,29-30,36,40-42,78H2,1-6H3
InChIKeyOZRWROXYFCLLMG-UHFFFAOYSA-N
XLogP13.96
TPSA202.87 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001245.50
LogP ≤ 513.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 3-amino-5-[1-[[2-[5-[6-(fluoromethyl)-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methyl-3-oxo-1H-isoindol-1-yl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-[1-[3-[[4-[5-fluoro-2-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-3-methylcyclopentyl]-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 3-amino-5-[1-[[2-[5-[6-(fluoromethyl)-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methyl-3-oxo-1H-isoindol-1-yl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-[1-[3-[[4-[5-fluoro-2-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-3-methylcyclopentyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-5-[1-[[2-[5-[6-(fluoromethyl)-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methyl-3-oxo-1H-isoindol-1-yl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-[1-[3-[[4-[5-fluoro-2-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-3-methylcyclopentyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile (CID 129301814) is 3-amino-5-[1-[[2-[5-[6-(fluoromethyl)-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methyl-3-oxo-1H-isoindol-1-yl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-[1-[3-[[4-[5-fluoro-2-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-3-methylcyclopentyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-5-[1-[[2-[5-[6-(fluoromethyl)-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methyl-3-oxo-1H-isoindol-1-yl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-[1-[3-[[4-[5-fluoro-2-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-3-methylcyclopentyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-5-[1-[[2-[5-[6-(fluoromethyl)-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methyl-3-oxo-1H-isoindol-1-yl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-[1-[3-[[4-[5-fluoro-2-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-3-methylcyclopentyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile is CN1Cc2ccc(-c3ncc(F)cc3-c3cnn(CC4(C)CCC(C5c6ccc(-c7nc(C#N)c(N)cc7-c7cnn(CC8(C)CCCC8C8c9ccc(-c%10nc(CF)ccc%10-c%10cnn(CC%11(C)CCCC%11)c%10)cc9C(=O)N8C)c7)cc6C(=O)N5C)C4)c3)cc2C1=O.
What is the InChIKey of 3-amino-5-[1-[[2-[5-[6-(fluoromethyl)-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methyl-3-oxo-1H-isoindol-1-yl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-[1-[3-[[4-[5-fluoro-2-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-3-methylcyclopentyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile?
The InChIKey is OZRWROXYFCLLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H74F2N14O3/c1-72(20-7-8-21-72)40-88-37-48(32-80-88)53-18-15-52(30-75)83-65(53)44-14-17-55-60(25-44)71(93)87(6)68(55)61-10-9-22-74(61,3)42-90-39-50(34-82-90)57-28-62(78)63(31-77)84-66(57)45-13-16-54-59(26-45)70(92)86(5)67(54)46-19-23-73(2,29-46)41-89-38-49(33-81-89)56-27-51(76)35-79-64(56)43-11-12-47-36-85(4)69(91)58(47)24-43/h11-18,24-28,32-35,37-39,46,61,67-68H,7-10,19-23,29-30,36,40-42,78H2,1-6H3.
What are the key properties of 3-amino-5-[1-[[2-[5-[6-(fluoromethyl)-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methyl-3-oxo-1H-isoindol-1-yl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-[1-[3-[[4-[5-fluoro-2-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-3-methylcyclopentyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile?
3-amino-5-[1-[[2-[5-[6-(fluoromethyl)-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methyl-3-oxo-1H-isoindol-1-yl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-[1-[3-[[4-[5-fluoro-2-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-3-methylcyclopentyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile has a molecular weight of 1245.50 g/mol, XLogP of 13.96, 15 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[1-[[2-[5-[6-(fluoromethyl)-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methyl-3-oxo-1H-isoindol-1-yl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-[1-[3-[[4-[5-fluoro-2-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-3-methylcyclopentyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 129301814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).