2-(3-fluoropyrrolidin-1-yl)-5-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile

C23H22FN7 — CID 118620107

IUPAC2-(3-fluoropyrrolidin-1-yl)-5-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile
SMILESCN1Cc2ccc(Nc3nccc(-c4cnc(N5CCC(F)C5)c(C#N)c4)n3)cc2C1
InChIInChI=1S/C23H22FN7/c1-30-12-15-2-3-20(9-18(15)13-30)28-23-26-6-4-21(29-23)17-8-16(10-25)22(27-11-17)31-7-5-19(24)14-31/h2-4,6,8-9,11,19H,5,7,12-14H2,1H3,(H,26,28,29)
InChIKeyDHEPJUCPKRJQTP-UHFFFAOYSA-N
MW415.48 g/mol
LogP3.65
Rot. Bonds4

About 2-(3-fluoropyrrolidin-1-yl)-5-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile

2-(3-fluoropyrrolidin-1-yl)-5-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile (PubChem CID 118620107) has the molecular formula C23H22FN7 and a molecular weight of 415.48 g/mol. Its IUPAC name is 2-(3-fluoropyrrolidin-1-yl)-5-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-fluoropyrrolidin-1-yl)-5-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile
PubChem CID118620107
Molecular FormulaC23H22FN7
Molecular Weight415.48 g/mol
Exact Mass415.19
IUPAC Name2-(3-fluoropyrrolidin-1-yl)-5-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile
SMILESCN1Cc2ccc(Nc3nccc(-c4cnc(N5CCC(F)C5)c(C#N)c4)n3)cc2C1
InChIInChI=1S/C23H22FN7/c1-30-12-15-2-3-20(9-18(15)13-30)28-23-26-6-4-21(29-23)17-8-16(10-25)22(27-11-17)31-7-5-19(24)14-31/h2-4,6,8-9,11,19H,5,7,12-14H2,1H3,(H,26,28,29)
InChIKeyDHEPJUCPKRJQTP-UHFFFAOYSA-N
XLogP3.65
TPSA80.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3-fluoropyrrolidin-1-yl)-5-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropyrrolidin-1-yl)-5-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-(3-fluoropyrrolidin-1-yl)-5-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile (CID 118620107) is 2-(3-fluoropyrrolidin-1-yl)-5-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-fluoropyrrolidin-1-yl)-5-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-(3-fluoropyrrolidin-1-yl)-5-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile is CN1Cc2ccc(Nc3nccc(-c4cnc(N5CCC(F)C5)c(C#N)c4)n3)cc2C1.
What is the InChIKey of 2-(3-fluoropyrrolidin-1-yl)-5-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile?
The InChIKey is DHEPJUCPKRJQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7/c1-30-12-15-2-3-20(9-18(15)13-30)28-23-26-6-4-21(29-23)17-8-16(10-25)22(27-11-17)31-7-5-19(24)14-31/h2-4,6,8-9,11,19H,5,7,12-14H2,1H3,(H,26,28,29).
What are the key properties of 2-(3-fluoropyrrolidin-1-yl)-5-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile?
2-(3-fluoropyrrolidin-1-yl)-5-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile has a molecular weight of 415.48 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropyrrolidin-1-yl)-5-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 118620107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).