6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide

C23H25FN8O3S — CID 90155286

IUPAC6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
SMILESCC(C)Nc1cc(Nc2nc3ccnn3cc2F)ncc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C23H25FN8O3S/c1-14(2)29-19-11-20(30-22-18(24)13-32-21(31-22)8-10-28-32)27-12-17(19)23(33)26-9-7-15-3-5-16(6-4-15)36(25,34)35/h3-6,8,10-14H,7,9H2,1-2H3,(H,26,33)(H2,25,34,35)(H2,27,29,30,31)
InChIKeyBOXHZKKBKLRFSX-UHFFFAOYSA-N
MW512.57 g/mol
LogP2.45
Rot. Bonds9

About 6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide

6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 90155286) has the molecular formula C23H25FN8O3S and a molecular weight of 512.57 g/mol. Its IUPAC name is 6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
PubChem CID90155286
Molecular FormulaC23H25FN8O3S
Molecular Weight512.57 g/mol
Exact Mass512.18
IUPAC Name6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
SMILESCC(C)Nc1cc(Nc2nc3ccnn3cc2F)ncc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C23H25FN8O3S/c1-14(2)29-19-11-20(30-22-18(24)13-32-21(31-22)8-10-28-32)27-12-17(19)23(33)26-9-7-15-3-5-16(6-4-15)36(25,34)35/h3-6,8,10-14H,7,9H2,1-2H3,(H,26,33)(H2,25,34,35)(H2,27,29,30,31)
InChIKeyBOXHZKKBKLRFSX-UHFFFAOYSA-N
XLogP2.45
TPSA156.40 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.57
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-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 6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide (CID 90155286) is 6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide is CC(C)Nc1cc(Nc2nc3ccnn3cc2F)ncc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is BOXHZKKBKLRFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN8O3S/c1-14(2)29-19-11-20(30-22-18(24)13-32-21(31-22)8-10-28-32)27-12-17(19)23(33)26-9-7-15-3-5-16(6-4-15)36(25,34)35/h3-6,8,10-14H,7,9H2,1-2H3,(H,26,33)(H2,25,34,35)(H2,27,29,30,31).
What are the key properties of 6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide?
6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 512.57 g/mol, XLogP of 2.45, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 90155286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).