2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide

C24H24FN7O4 — CID 59278194

IUPAC2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide
SMILESCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)NCC(=O)NC)c(C)o1
InChIInChI=1S/C24H24FN7O4/c1-4-18(24-31-21(13(2)36-24)23(35)28-12-20(33)26-3)30-22(34)17-9-27-11-19-16(17)10-29-32(19)15-7-5-14(25)6-8-15/h5-11,18H,4,12H2,1-3H3,(H,26,33)(H,28,35)(H,30,34)
InChIKeyZGARLECKDIHLJN-UHFFFAOYSA-N
MW493.50 g/mol
LogP2.21
Rot. Bonds8

About 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide

2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide (PubChem CID 59278194) has the molecular formula C24H24FN7O4 and a molecular weight of 493.50 g/mol. Its IUPAC name is 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide
PubChem CID59278194
Molecular FormulaC24H24FN7O4
Molecular Weight493.50 g/mol
Exact Mass493.19
IUPAC Name2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide
SMILESCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)NCC(=O)NC)c(C)o1
InChIInChI=1S/C24H24FN7O4/c1-4-18(24-31-21(13(2)36-24)23(35)28-12-20(33)26-3)30-22(34)17-9-27-11-19-16(17)10-29-32(19)15-7-5-14(25)6-8-15/h5-11,18H,4,12H2,1-3H3,(H,26,33)(H,28,35)(H,30,34)
InChIKeyZGARLECKDIHLJN-UHFFFAOYSA-N
XLogP2.21
TPSA144.04 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.50
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide (CID 59278194) is 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide is CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)NCC(=O)NC)c(C)o1.
What is the InChIKey of 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is ZGARLECKDIHLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O4/c1-4-18(24-31-21(13(2)36-24)23(35)28-12-20(33)26-3)30-22(34)17-9-27-11-19-16(17)10-29-32(19)15-7-5-14(25)6-8-15/h5-11,18H,4,12H2,1-3H3,(H,26,33)(H,28,35)(H,30,34).
What are the key properties of 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide?
2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 493.50 g/mol, XLogP of 2.21, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 59278194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).