N-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3-methylindazol-1-yl)pyrimidin-4-amine

C25H22FN7 — CID 134439987

IUPACN-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3-methylindazol-1-yl)pyrimidin-4-amine
SMILESCc1nn(-c2cc(Nc3c(C4CC4)c(-c4ccc(F)cc4)nn3C)ncn2)c2ccccc12
InChIInChI=1S/C25H22FN7/c1-15-19-5-3-4-6-20(19)33(30-15)22-13-21(27-14-28-22)29-25-23(16-7-8-16)24(31-32(25)2)17-9-11-18(26)12-10-17/h3-6,9-14,16H,7-8H2,1-2H3,(H,27,28,29)
InChIKeyZHHPIXKTIWMZLQ-UHFFFAOYSA-N
MW439.50 g/mol
LogP5.28
Rot. Bonds5

About N-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3-methylindazol-1-yl)pyrimidin-4-amine

N-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3-methylindazol-1-yl)pyrimidin-4-amine (PubChem CID 134439987) has the molecular formula C25H22FN7 and a molecular weight of 439.50 g/mol. Its IUPAC name is N-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3-methylindazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3-methylindazol-1-yl)pyrimidin-4-amine
PubChem CID134439987
Molecular FormulaC25H22FN7
Molecular Weight439.50 g/mol
Exact Mass439.19
IUPAC NameN-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3-methylindazol-1-yl)pyrimidin-4-amine
SMILESCc1nn(-c2cc(Nc3c(C4CC4)c(-c4ccc(F)cc4)nn3C)ncn2)c2ccccc12
InChIInChI=1S/C25H22FN7/c1-15-19-5-3-4-6-20(19)33(30-15)22-13-21(27-14-28-22)29-25-23(16-7-8-16)24(31-32(25)2)17-9-11-18(26)12-10-17/h3-6,9-14,16H,7-8H2,1-2H3,(H,27,28,29)
InChIKeyZHHPIXKTIWMZLQ-UHFFFAOYSA-N
XLogP5.28
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.50
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3-methylindazol-1-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

Avapritinib
CID 118023034
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
PF-04254644
CID 24871823
Unc569
CID 53355503
5-methyl-N-(naphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 660996
4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155570100
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
Dsm-74
CID 25263414
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
AHR antagonist 5 free base
CID 140944699

Frequently Asked Questions

What is the IUPAC name of N-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3-methylindazol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3-methylindazol-1-yl)pyrimidin-4-amine (CID 134439987) is N-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3-methylindazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3-methylindazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3-methylindazol-1-yl)pyrimidin-4-amine is Cc1nn(-c2cc(Nc3c(C4CC4)c(-c4ccc(F)cc4)nn3C)ncn2)c2ccccc12.
What is the InChIKey of N-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3-methylindazol-1-yl)pyrimidin-4-amine?
The InChIKey is ZHHPIXKTIWMZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7/c1-15-19-5-3-4-6-20(19)33(30-15)22-13-21(27-14-28-22)29-25-23(16-7-8-16)24(31-32(25)2)17-9-11-18(26)12-10-17/h3-6,9-14,16H,7-8H2,1-2H3,(H,27,28,29).
What are the key properties of N-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3-methylindazol-1-yl)pyrimidin-4-amine?
N-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3-methylindazol-1-yl)pyrimidin-4-amine has a molecular weight of 439.50 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclopropyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3-methylindazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 134439987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).