5-chloro-2-N-(4-fluoro-2-methyl-5-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

C20H23ClFN7 — CID 44610864

IUPAC5-chloro-2-N-(4-fluoro-2-methyl-5-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(Nc3cc(C4CCNCC4)c(F)cc3C)ncc2Cl)n[nH]1
InChIInChI=1S/C20H23ClFN7/c1-11-7-16(22)14(13-3-5-23-6-4-13)9-17(11)25-20-24-10-15(21)19(27-20)26-18-8-12(2)28-29-18/h7-10,13,23H,3-6H2,1-2H3,(H3,24,25,26,27,28,29)
InChIKeyWSWNOYQNQMWZJE-UHFFFAOYSA-N
MW415.90 g/mol
LogP4.56
Rot. Bonds5

About 5-chloro-2-N-(4-fluoro-2-methyl-5-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

5-chloro-2-N-(4-fluoro-2-methyl-5-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 44610864) has the molecular formula C20H23ClFN7 and a molecular weight of 415.90 g/mol. Its IUPAC name is 5-chloro-2-N-(4-fluoro-2-methyl-5-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-(4-fluoro-2-methyl-5-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID44610864
Molecular FormulaC20H23ClFN7
Molecular Weight415.90 g/mol
Exact Mass415.17
IUPAC Name5-chloro-2-N-(4-fluoro-2-methyl-5-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(Nc3cc(C4CCNCC4)c(F)cc3C)ncc2Cl)n[nH]1
InChIInChI=1S/C20H23ClFN7/c1-11-7-16(22)14(13-3-5-23-6-4-13)9-17(11)25-20-24-10-15(21)19(27-20)26-18-8-12(2)28-29-18/h7-10,13,23H,3-6H2,1-2H3,(H3,24,25,26,27,28,29)
InChIKeyWSWNOYQNQMWZJE-UHFFFAOYSA-N
XLogP4.56
TPSA90.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 54.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-chloro-2-N-(4-fluoro-2-methyl-5-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine 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 5-chloro-2-N-(4-fluoro-2-methyl-5-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-(4-fluoro-2-methyl-5-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (CID 44610864) is 5-chloro-2-N-(4-fluoro-2-methyl-5-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-(4-fluoro-2-methyl-5-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-(4-fluoro-2-methyl-5-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is Cc1cc(Nc2nc(Nc3cc(C4CCNCC4)c(F)cc3C)ncc2Cl)n[nH]1.
What is the InChIKey of 5-chloro-2-N-(4-fluoro-2-methyl-5-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is WSWNOYQNQMWZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN7/c1-11-7-16(22)14(13-3-5-23-6-4-13)9-17(11)25-20-24-10-15(21)19(27-20)26-18-8-12(2)28-29-18/h7-10,13,23H,3-6H2,1-2H3,(H3,24,25,26,27,28,29).
What are the key properties of 5-chloro-2-N-(4-fluoro-2-methyl-5-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
5-chloro-2-N-(4-fluoro-2-methyl-5-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 415.90 g/mol, XLogP of 4.56, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-(4-fluoro-2-methyl-5-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 44610864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).