2-(4-fluorophenyl)-3-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide

C26H29FN8O — CID 11627271

IUPAC2-(4-fluorophenyl)-3-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide
SMILESCN1CCN(CCCNc2nccc(-c3c(-c4ccc(F)cc4)nn4cc(C(N)=O)ccc34)n2)CC1
InChIInChI=1S/C26H29FN8O/c1-33-13-15-34(16-14-33)12-2-10-29-26-30-11-9-21(31-26)23-22-8-5-19(25(28)36)17-35(22)32-24(23)18-3-6-20(27)7-4-18/h3-9,11,17H,2,10,12-16H2,1H3,(H2,28,36)(H,29,30,31)
InChIKeyCMQTUFCESWSGOG-UHFFFAOYSA-N
MW488.57 g/mol
LogP2.75
Rot. Bonds8

About 2-(4-fluorophenyl)-3-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide

2-(4-fluorophenyl)-3-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 11627271) has the molecular formula C26H29FN8O and a molecular weight of 488.57 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide
PubChem CID11627271
Molecular FormulaC26H29FN8O
Molecular Weight488.57 g/mol
Exact Mass488.24
IUPAC Name2-(4-fluorophenyl)-3-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide
SMILESCN1CCN(CCCNc2nccc(-c3c(-c4ccc(F)cc4)nn4cc(C(N)=O)ccc34)n2)CC1
InChIInChI=1S/C26H29FN8O/c1-33-13-15-34(16-14-33)12-2-10-29-26-30-11-9-21(31-26)23-22-8-5-19(25(28)36)17-35(22)32-24(23)18-3-6-20(27)7-4-18/h3-9,11,17H,2,10,12-16H2,1H3,(H2,28,36)(H,29,30,31)
InChIKeyCMQTUFCESWSGOG-UHFFFAOYSA-N
XLogP2.75
TPSA104.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-3-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide (CID 11627271) is 2-(4-fluorophenyl)-3-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-3-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide is CN1CCN(CCCNc2nccc(-c3c(-c4ccc(F)cc4)nn4cc(C(N)=O)ccc34)n2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is CMQTUFCESWSGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN8O/c1-33-13-15-34(16-14-33)12-2-10-29-26-30-11-9-21(31-26)23-22-8-5-19(25(28)36)17-35(22)32-24(23)18-3-6-20(27)7-4-18/h3-9,11,17H,2,10,12-16H2,1H3,(H2,28,36)(H,29,30,31).
What are the key properties of 2-(4-fluorophenyl)-3-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide?
2-(4-fluorophenyl)-3-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 488.57 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 11627271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).