N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-fluoro-1-methylpyrazole-5-carboxamide

C23H27FN6O2 — CID 163276968

IUPACN-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-fluoro-1-methylpyrazole-5-carboxamide
SMILESCc1ncnc(C)c1-c1cc(NC(=O)c2c(F)cnn2C)ccc1OCCN1CCCC1
InChIInChI=1S/C23H27FN6O2/c1-15-21(16(2)26-14-25-15)18-12-17(28-23(31)22-19(24)13-27-29(22)3)6-7-20(18)32-11-10-30-8-4-5-9-30/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,28,31)
InChIKeyWPUMKNTWDSLWPE-UHFFFAOYSA-N
MW438.51 g/mol
LogP3.36
Rot. Bonds7

About N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-fluoro-1-methylpyrazole-5-carboxamide

N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-fluoro-1-methylpyrazole-5-carboxamide (PubChem CID 163276968) has the molecular formula C23H27FN6O2 and a molecular weight of 438.51 g/mol. Its IUPAC name is N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-fluoro-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-fluoro-1-methylpyrazole-5-carboxamide
PubChem CID163276968
Molecular FormulaC23H27FN6O2
Molecular Weight438.51 g/mol
Exact Mass438.22
IUPAC NameN-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-fluoro-1-methylpyrazole-5-carboxamide
SMILESCc1ncnc(C)c1-c1cc(NC(=O)c2c(F)cnn2C)ccc1OCCN1CCCC1
InChIInChI=1S/C23H27FN6O2/c1-15-21(16(2)26-14-25-15)18-12-17(28-23(31)22-19(24)13-27-29(22)3)6-7-20(18)32-11-10-30-8-4-5-9-30/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,28,31)
InChIKeyWPUMKNTWDSLWPE-UHFFFAOYSA-N
XLogP3.36
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-fluoro-1-methylpyrazole-5-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 N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-fluoro-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-fluoro-1-methylpyrazole-5-carboxamide (CID 163276968) is N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-fluoro-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-fluoro-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-fluoro-1-methylpyrazole-5-carboxamide is Cc1ncnc(C)c1-c1cc(NC(=O)c2c(F)cnn2C)ccc1OCCN1CCCC1.
What is the InChIKey of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-fluoro-1-methylpyrazole-5-carboxamide?
The InChIKey is WPUMKNTWDSLWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6O2/c1-15-21(16(2)26-14-25-15)18-12-17(28-23(31)22-19(24)13-27-29(22)3)6-7-20(18)32-11-10-30-8-4-5-9-30/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,28,31).
What are the key properties of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-fluoro-1-methylpyrazole-5-carboxamide?
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-fluoro-1-methylpyrazole-5-carboxamide has a molecular weight of 438.51 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-fluoro-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 163276968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).