N-[(1S)-1-[3-[6-(1-fluoroethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-5-yl]ethyl]-6-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxamide

About N-[(1S)-1-[3-[6-(1-fluoroethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-5-yl]ethyl]-6-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxamide

N-[(1S)-1-[3-[6-(1-fluoroethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-5-yl]ethyl]-6-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxamide (PubChem CID 137249528) has the molecular formula C24H19F2N7O2 and a molecular weight of 475.46 g/mol. Its IUPAC name is N-[(1S)-1-[3-[6-(1-fluoroethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-5-yl]ethyl]-6-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name	N-[(1S)-1-[3-[6-(1-fluoroethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-5-yl]ethyl]-6-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxamide
PubChem CID	137249528
Molecular Formula	C24H19F2N7O2
Molecular Weight	475.46 g/mol
Exact Mass	475.16
IUPAC Name	N-[(1S)-1-[3-[6-(1-fluoroethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-5-yl]ethyl]-6-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxamide
SMILES	CC(F)c1ccc2nc(-c3cc([C@H](C)NC(=O)c4cc(-c5cccnc5F)ncn4)on3)[nH]c2c1
InChI	InChI=1S/C24H19F2N7O2/c1-12(25)14-5-6-16-18(8-14)32-23(31-16)19-10-21(35-33-19)13(2)30-24(34)20-9-17(28-11-29-20)15-4-3-7-27-22(15)26/h3-13H,1-2H3,(H,30,34)(H,31,32)/t12?,13-/m0/s1
InChIKey	DOLUWVRPEHJMBP-ABLWVSNPSA-N
XLogP	4.73
TPSA	122.48 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	6
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.46
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-[6-(1-fluoroethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-5-yl]ethyl]-6-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxamide?

The IUPAC name of N-[(1S)-1-[3-[6-(1-fluoroethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-5-yl]ethyl]-6-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxamide (CID 137249528) is N-[(1S)-1-[3-[6-(1-fluoroethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-5-yl]ethyl]-6-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxamide.

What is the SMILES notation for N-[(1S)-1-[3-[6-(1-fluoroethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-5-yl]ethyl]-6-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxamide?

The canonical SMILES for N-[(1S)-1-[3-[6-(1-fluoroethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-5-yl]ethyl]-6-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxamide is CC(F)c1ccc2nc(-c3cc([C@H](C)NC(=O)c4cc(-c5cccnc5F)ncn4)on3)[nH]c2c1.

What is the InChIKey of N-[(1S)-1-[3-[6-(1-fluoroethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-5-yl]ethyl]-6-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxamide?

The InChIKey is DOLUWVRPEHJMBP-ABLWVSNPSA-N. The full InChI is InChI=1S/C24H19F2N7O2/c1-12(25)14-5-6-16-18(8-14)32-23(31-16)19-10-21(35-33-19)13(2)30-24(34)20-9-17(28-11-29-20)15-4-3-7-27-22(15)26/h3-13H,1-2H3,(H,30,34)(H,31,32)/t12?,13-/m0/s1.

What are the key properties of N-[(1S)-1-[3-[6-(1-fluoroethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-5-yl]ethyl]-6-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxamide?

N-[(1S)-1-[3-[6-(1-fluoroethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-5-yl]ethyl]-6-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxamide has a molecular weight of 475.46 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[3-[6-(1-fluoroethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-5-yl]ethyl]-6-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 137249528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).