6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-fluoro-3-methylbutyl)-4-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide

C24H28ClFN8O — CID 145219422

IUPAC6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-fluoro-3-methylbutyl)-4-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide
SMILESCC(C)Cn1cc(Nc2cc(-c3cnn4cc(Cl)cnc34)ncc2C(=O)NCC(F)C(C)C)cn1
InChIInChI=1S/C24H28ClFN8O/c1-14(2)11-33-13-17(7-30-33)32-22-5-21(18-9-31-34-12-16(25)6-28-23(18)34)27-8-19(22)24(35)29-10-20(26)15(3)4/h5-9,12-15,20H,10-11H2,1-4H3,(H,27,32)(H,29,35)
InChIKeyHKZYENFBNDHMSY-UHFFFAOYSA-N
MW498.99 g/mol
LogP4.76
Rot. Bonds9

About 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-fluoro-3-methylbutyl)-4-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide

6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-fluoro-3-methylbutyl)-4-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide (PubChem CID 145219422) has the molecular formula C24H28ClFN8O and a molecular weight of 498.99 g/mol. Its IUPAC name is 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-fluoro-3-methylbutyl)-4-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-fluoro-3-methylbutyl)-4-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide
PubChem CID145219422
Molecular FormulaC24H28ClFN8O
Molecular Weight498.99 g/mol
Exact Mass498.21
IUPAC Name6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-fluoro-3-methylbutyl)-4-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide
SMILESCC(C)Cn1cc(Nc2cc(-c3cnn4cc(Cl)cnc34)ncc2C(=O)NCC(F)C(C)C)cn1
InChIInChI=1S/C24H28ClFN8O/c1-14(2)11-33-13-17(7-30-33)32-22-5-21(18-9-31-34-12-16(25)6-28-23(18)34)27-8-19(22)24(35)29-10-20(26)15(3)4/h5-9,12-15,20H,10-11H2,1-4H3,(H,27,32)(H,29,35)
InChIKeyHKZYENFBNDHMSY-UHFFFAOYSA-N
XLogP4.76
TPSA102.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.99
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-fluoro-3-methylbutyl)-4-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-fluoro-3-methylbutyl)-4-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide (CID 145219422) is 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-fluoro-3-methylbutyl)-4-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-fluoro-3-methylbutyl)-4-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-fluoro-3-methylbutyl)-4-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide is CC(C)Cn1cc(Nc2cc(-c3cnn4cc(Cl)cnc34)ncc2C(=O)NCC(F)C(C)C)cn1.
What is the InChIKey of 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-fluoro-3-methylbutyl)-4-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide?
The InChIKey is HKZYENFBNDHMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClFN8O/c1-14(2)11-33-13-17(7-30-33)32-22-5-21(18-9-31-34-12-16(25)6-28-23(18)34)27-8-19(22)24(35)29-10-20(26)15(3)4/h5-9,12-15,20H,10-11H2,1-4H3,(H,27,32)(H,29,35).
What are the key properties of 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-fluoro-3-methylbutyl)-4-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide?
6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-fluoro-3-methylbutyl)-4-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide has a molecular weight of 498.99 g/mol, XLogP of 4.76, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-fluoro-3-methylbutyl)-4-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 145219422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).