3,3-difluoro-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]azetidine-1-carboxamide

C20H19F2N7O — CID 118249435

IUPAC3,3-difluoro-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]azetidine-1-carboxamide
SMILESCc1nccc(Nc2cc(-c3cnc(C)c(NC(=O)N4CC(F)(F)C4)c3)ccn2)n1
InChIInChI=1S/C20H19F2N7O/c1-12-16(27-19(30)29-10-20(21,22)11-29)7-15(9-25-12)14-3-5-24-18(8-14)28-17-4-6-23-13(2)26-17/h3-9H,10-11H2,1-2H3,(H,27,30)(H,23,24,26,28)
InChIKeySWJQWMNZHJTMRL-UHFFFAOYSA-N
MW411.42 g/mol
LogP3.78
Rot. Bonds4

About 3,3-difluoro-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]azetidine-1-carboxamide

3,3-difluoro-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]azetidine-1-carboxamide (PubChem CID 118249435) has the molecular formula C20H19F2N7O and a molecular weight of 411.42 g/mol. Its IUPAC name is 3,3-difluoro-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]azetidine-1-carboxamide
PubChem CID118249435
Molecular FormulaC20H19F2N7O
Molecular Weight411.42 g/mol
Exact Mass411.16
IUPAC Name3,3-difluoro-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]azetidine-1-carboxamide
SMILESCc1nccc(Nc2cc(-c3cnc(C)c(NC(=O)N4CC(F)(F)C4)c3)ccn2)n1
InChIInChI=1S/C20H19F2N7O/c1-12-16(27-19(30)29-10-20(21,22)11-29)7-15(9-25-12)14-3-5-24-18(8-14)28-17-4-6-23-13(2)26-17/h3-9H,10-11H2,1-2H3,(H,27,30)(H,23,24,26,28)
InChIKeySWJQWMNZHJTMRL-UHFFFAOYSA-N
XLogP3.78
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3,3-difluoro-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]azetidine-1-carboxamide 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 3,3-difluoro-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]azetidine-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]azetidine-1-carboxamide (CID 118249435) is 3,3-difluoro-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]azetidine-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]azetidine-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]azetidine-1-carboxamide is Cc1nccc(Nc2cc(-c3cnc(C)c(NC(=O)N4CC(F)(F)C4)c3)ccn2)n1.
What is the InChIKey of 3,3-difluoro-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]azetidine-1-carboxamide?
The InChIKey is SWJQWMNZHJTMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N7O/c1-12-16(27-19(30)29-10-20(21,22)11-29)7-15(9-25-12)14-3-5-24-18(8-14)28-17-4-6-23-13(2)26-17/h3-9H,10-11H2,1-2H3,(H,27,30)(H,23,24,26,28).
What are the key properties of 3,3-difluoro-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]azetidine-1-carboxamide?
3,3-difluoro-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]azetidine-1-carboxamide has a molecular weight of 411.42 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]azetidine-1-carboxamide is sourced from PubChem (CID 118249435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).