2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H23FN8O2 — CID 90199019

IUPAC2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCN(C(=O)c2ccc(-c3ccncc3NC(=O)c3c(N)nn4cc(F)cnc34)cc2)CC1
InChIInChI=1S/C24H23FN8O2/c1-31-8-10-32(11-9-31)24(35)16-4-2-15(3-5-16)18-6-7-27-13-19(18)29-23(34)20-21(26)30-33-14-17(25)12-28-22(20)33/h2-7,12-14H,8-11H2,1H3,(H2,26,30)(H,29,34)
InChIKeyUIRAUSGLQFQCFX-UHFFFAOYSA-N
MW474.50 g/mol
LogP2.15
Rot. Bonds4

About 2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199019) has the molecular formula C24H23FN8O2 and a molecular weight of 474.50 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199019
Molecular FormulaC24H23FN8O2
Molecular Weight474.50 g/mol
Exact Mass474.19
IUPAC Name2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCN(C(=O)c2ccc(-c3ccncc3NC(=O)c3c(N)nn4cc(F)cnc34)cc2)CC1
InChIInChI=1S/C24H23FN8O2/c1-31-8-10-32(11-9-31)24(35)16-4-2-15(3-5-16)18-6-7-27-13-19(18)29-23(34)20-21(26)30-33-14-17(25)12-28-22(20)33/h2-7,12-14H,8-11H2,1H3,(H2,26,30)(H,29,34)
InChIKeyUIRAUSGLQFQCFX-UHFFFAOYSA-N
XLogP2.15
TPSA121.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.50
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-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 2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199019) is 2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCN(C(=O)c2ccc(-c3ccncc3NC(=O)c3c(N)nn4cc(F)cnc34)cc2)CC1.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UIRAUSGLQFQCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN8O2/c1-31-8-10-32(11-9-31)24(35)16-4-2-15(3-5-16)18-6-7-27-13-19(18)29-23(34)20-21(26)30-33-14-17(25)12-28-22(20)33/h2-7,12-14H,8-11H2,1H3,(H2,26,30)(H,29,34).
What are the key properties of 2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 474.50 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).