5-amino-3-[6-[2-[[3-(4-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide

C23H21ClFN7O3 — CID 164607713

IUPAC5-amino-3-[6-[2-[[3-(4-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2ccc(CC(=O)Nc3cc(-c4ccc(Cl)cc4F)no3)nc2)c(C(N)=O)c1N
InChIInChI=1S/C23H21ClFN7O3/c1-11(2)32-22(26)20(23(27)34)21(30-32)12-3-5-14(28-10-12)8-18(33)29-19-9-17(31-35-19)15-6-4-13(24)7-16(15)25/h3-7,9-11H,8,26H2,1-2H3,(H2,27,34)(H,29,33)
InChIKeyMHTNQRBJJOCKNS-UHFFFAOYSA-N
MW497.92 g/mol
LogP3.84
Rot. Bonds7

About 5-amino-3-[6-[2-[[3-(4-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-[6-[2-[[3-(4-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 164607713) has the molecular formula C23H21ClFN7O3 and a molecular weight of 497.92 g/mol. Its IUPAC name is 5-amino-3-[6-[2-[[3-(4-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[6-[2-[[3-(4-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID164607713
Molecular FormulaC23H21ClFN7O3
Molecular Weight497.92 g/mol
Exact Mass497.14
IUPAC Name5-amino-3-[6-[2-[[3-(4-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2ccc(CC(=O)Nc3cc(-c4ccc(Cl)cc4F)no3)nc2)c(C(N)=O)c1N
InChIInChI=1S/C23H21ClFN7O3/c1-11(2)32-22(26)20(23(27)34)21(30-32)12-3-5-14(28-10-12)8-18(33)29-19-9-17(31-35-19)15-6-4-13(24)7-16(15)25/h3-7,9-11H,8,26H2,1-2H3,(H2,27,34)(H,29,33)
InChIKeyMHTNQRBJJOCKNS-UHFFFAOYSA-N
XLogP3.84
TPSA154.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.92
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-amino-3-[6-[2-[[3-(4-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[6-[2-[[3-(4-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[6-[2-[[3-(4-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 164607713) is 5-amino-3-[6-[2-[[3-(4-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[6-[2-[[3-(4-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[6-[2-[[3-(4-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(-c4ccc(Cl)cc4F)no3)nc2)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-3-[6-[2-[[3-(4-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is MHTNQRBJJOCKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN7O3/c1-11(2)32-22(26)20(23(27)34)21(30-32)12-3-5-14(28-10-12)8-18(33)29-19-9-17(31-35-19)15-6-4-13(24)7-16(15)25/h3-7,9-11H,8,26H2,1-2H3,(H2,27,34)(H,29,33).
What are the key properties of 5-amino-3-[6-[2-[[3-(4-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
5-amino-3-[6-[2-[[3-(4-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 497.92 g/mol, XLogP of 3.84, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[6-[2-[[3-(4-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 164607713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).