6-(2-fluoro-3-pyridinyl)-N-[1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide

C25H21FN8O2 — CID 137223623

IUPAC6-(2-fluoro-3-pyridinyl)-N-[1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2cccnc2F)ncn1)c1cc(-c2nc3nc(C4(C)CC4)ccc3[nH]2)no1
InChIInChI=1S/C25H21FN8O2/c1-13(30-24(35)18-10-16(28-12-29-18)14-4-3-9-27-21(14)26)19-11-17(34-36-19)23-31-15-5-6-20(25(2)7-8-25)32-22(15)33-23/h3-6,9-13H,7-8H2,1-2H3,(H,30,35)(H,31,32,33)
InChIKeyYUBUESMXLMJIKB-UHFFFAOYSA-N
MW484.50 g/mol
LogP4.15
Rot. Bonds6

About 6-(2-fluoro-3-pyridinyl)-N-[1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide

6-(2-fluoro-3-pyridinyl)-N-[1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide (PubChem CID 137223623) has the molecular formula C25H21FN8O2 and a molecular weight of 484.50 g/mol. Its IUPAC name is 6-(2-fluoro-3-pyridinyl)-N-[1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-fluoro-3-pyridinyl)-N-[1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide
PubChem CID137223623
Molecular FormulaC25H21FN8O2
Molecular Weight484.50 g/mol
Exact Mass484.18
IUPAC Name6-(2-fluoro-3-pyridinyl)-N-[1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2cccnc2F)ncn1)c1cc(-c2nc3nc(C4(C)CC4)ccc3[nH]2)no1
InChIInChI=1S/C25H21FN8O2/c1-13(30-24(35)18-10-16(28-12-29-18)14-4-3-9-27-21(14)26)19-11-17(34-36-19)23-31-15-5-6-20(25(2)7-8-25)32-22(15)33-23/h3-6,9-13H,7-8H2,1-2H3,(H,30,35)(H,31,32,33)
InChIKeyYUBUESMXLMJIKB-UHFFFAOYSA-N
XLogP4.15
TPSA135.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.50
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-(2-fluoro-3-pyridinyl)-N-[1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-3-pyridinyl)-N-[1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-fluoro-3-pyridinyl)-N-[1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide (CID 137223623) is 6-(2-fluoro-3-pyridinyl)-N-[1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-fluoro-3-pyridinyl)-N-[1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-fluoro-3-pyridinyl)-N-[1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide is CC(NC(=O)c1cc(-c2cccnc2F)ncn1)c1cc(-c2nc3nc(C4(C)CC4)ccc3[nH]2)no1.
What is the InChIKey of 6-(2-fluoro-3-pyridinyl)-N-[1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide?
The InChIKey is YUBUESMXLMJIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN8O2/c1-13(30-24(35)18-10-16(28-12-29-18)14-4-3-9-27-21(14)26)19-11-17(34-36-19)23-31-15-5-6-20(25(2)7-8-25)32-22(15)33-23/h3-6,9-13H,7-8H2,1-2H3,(H,30,35)(H,31,32,33).
What are the key properties of 6-(2-fluoro-3-pyridinyl)-N-[1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide?
6-(2-fluoro-3-pyridinyl)-N-[1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide has a molecular weight of 484.50 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-3-pyridinyl)-N-[1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 137223623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).