6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine

C21H24FN7 — CID 163348673

IUPAC6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine
SMILESCN(CC1CCN(c2ncnc3ncccc23)CC1)c1ncnc(C2CC2)c1F
InChIInChI=1S/C21H24FN7/c1-28(21-17(22)18(15-4-5-15)24-12-27-21)11-14-6-9-29(10-7-14)20-16-3-2-8-23-19(16)25-13-26-20/h2-3,8,12-15H,4-7,9-11H2,1H3
InChIKeyXNSPRJLYZMEDHK-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.18
Rot. Bonds5

About 6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine

6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine (PubChem CID 163348673) has the molecular formula C21H24FN7 and a molecular weight of 393.47 g/mol. Its IUPAC name is 6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine
PubChem CID163348673
Molecular FormulaC21H24FN7
Molecular Weight393.47 g/mol
Exact Mass393.21
IUPAC Name6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine
SMILESCN(CC1CCN(c2ncnc3ncccc23)CC1)c1ncnc(C2CC2)c1F
InChIInChI=1S/C21H24FN7/c1-28(21-17(22)18(15-4-5-15)24-12-27-21)11-14-6-9-29(10-7-14)20-16-3-2-8-23-19(16)25-13-26-20/h2-3,8,12-15H,4-7,9-11H2,1H3
InChIKeyXNSPRJLYZMEDHK-UHFFFAOYSA-N
XLogP3.18
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine 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 6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine (CID 163348673) is 6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine is CN(CC1CCN(c2ncnc3ncccc23)CC1)c1ncnc(C2CC2)c1F.
What is the InChIKey of 6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is XNSPRJLYZMEDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN7/c1-28(21-17(22)18(15-4-5-15)24-12-27-21)11-14-6-9-29(10-7-14)20-16-3-2-8-23-19(16)25-13-26-20/h2-3,8,12-15H,4-7,9-11H2,1H3.
What are the key properties of 6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine?
6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 393.47 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-fluoro-N-methyl-N-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 163348673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).