N-(4-chlorophenyl)-6-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine

C21H17ClFN5O — CID 175998555

IUPACN-(4-chlorophenyl)-6-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine
SMILESCOc1ccc(Cn2cc(-c3cc(Nc4ccc(Cl)cc4)ncn3)cn2)cc1F
InChIInChI=1S/C21H17ClFN5O/c1-29-20-7-2-14(8-18(20)23)11-28-12-15(10-26-28)19-9-21(25-13-24-19)27-17-5-3-16(22)4-6-17/h2-10,12-13H,11H2,1H3,(H,24,25,27)
InChIKeyJDRHPYZRMGAGEF-UHFFFAOYSA-N
MW409.85 g/mol
LogP4.93
Rot. Bonds6

About N-(4-chlorophenyl)-6-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine

N-(4-chlorophenyl)-6-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine (PubChem CID 175998555) has the molecular formula C21H17ClFN5O and a molecular weight of 409.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine
PubChem CID175998555
Molecular FormulaC21H17ClFN5O
Molecular Weight409.85 g/mol
Exact Mass409.11
IUPAC NameN-(4-chlorophenyl)-6-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine
SMILESCOc1ccc(Cn2cc(-c3cc(Nc4ccc(Cl)cc4)ncn3)cn2)cc1F
InChIInChI=1S/C21H17ClFN5O/c1-29-20-7-2-14(8-18(20)23)11-28-12-15(10-26-28)19-9-21(25-13-24-19)27-17-5-3-16(22)4-6-17/h2-10,12-13H,11H2,1H3,(H,24,25,27)
InChIKeyJDRHPYZRMGAGEF-UHFFFAOYSA-N
XLogP4.93
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.85
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-chlorophenyl)-6-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]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

Related Compounds

4-N-(4-chlorophenyl)-6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112862488
4-N-(3-chloro-4-fluorophenyl)-6-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112862613
2-[2-[4-[6-(4-methoxyanilino)pyrimidin-4-yl]pyrazol-1-yl]ethoxy]acetic acid
CID 157319604
5-bromo-1-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4-triazole
CID 83666011
4-N-(3-fluoro-4-methoxyphenyl)pyrimidine-4,6-diamine
CID 80779473
1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-amine
CID 54939751
N-[(4-chlorophenyl)methyl]-4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46327334
1-benzyl-N-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboxamide
CID 86996428
4-N-(3,4-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866560
N-(4-chlorophenyl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 31773245
N-[2-[2-[2-[2-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]formamide
CID 144886710
6-N-[2-(4-chlorophenyl)ethyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine
CID 112862542

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-6-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine (CID 175998555) is N-(4-chlorophenyl)-6-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-6-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-6-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine is COc1ccc(Cn2cc(-c3cc(Nc4ccc(Cl)cc4)ncn3)cn2)cc1F.
What is the InChIKey of N-(4-chlorophenyl)-6-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine?
The InChIKey is JDRHPYZRMGAGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN5O/c1-29-20-7-2-14(8-18(20)23)11-28-12-15(10-26-28)19-9-21(25-13-24-19)27-17-5-3-16(22)4-6-17/h2-10,12-13H,11H2,1H3,(H,24,25,27).
What are the key properties of N-(4-chlorophenyl)-6-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine?
N-(4-chlorophenyl)-6-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine has a molecular weight of 409.85 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 175998555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).