N-[6-[2-(aminomethyl)pyrimidin-5-yl]-2-propan-2-yloxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

C24H23FN6O3 — CID 166108669

IUPACN-[6-[2-(aminomethyl)pyrimidin-5-yl]-2-propan-2-yloxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(-c2cnc(CN)nc2)nc1OC(C)C
InChIInChI=1S/C24H23FN6O3/c1-13(2)33-24-19(9-8-18(30-24)16-11-27-20(10-26)28-12-16)29-23(32)21-14(3)34-31-22(21)15-4-6-17(25)7-5-15/h4-9,11-13H,10,26H2,1-3H3,(H,29,32)
InChIKeyZLLWBVZAQAHHAR-UHFFFAOYSA-N
MW462.49 g/mol
LogP4.14
Rot. Bonds7

About N-[6-[2-(aminomethyl)pyrimidin-5-yl]-2-propan-2-yloxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-[6-[2-(aminomethyl)pyrimidin-5-yl]-2-propan-2-yloxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 166108669) has the molecular formula C24H23FN6O3 and a molecular weight of 462.49 g/mol. Its IUPAC name is N-[6-[2-(aminomethyl)pyrimidin-5-yl]-2-propan-2-yloxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[2-(aminomethyl)pyrimidin-5-yl]-2-propan-2-yloxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID166108669
Molecular FormulaC24H23FN6O3
Molecular Weight462.49 g/mol
Exact Mass462.18
IUPAC NameN-[6-[2-(aminomethyl)pyrimidin-5-yl]-2-propan-2-yloxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(-c2cnc(CN)nc2)nc1OC(C)C
InChIInChI=1S/C24H23FN6O3/c1-13(2)33-24-19(9-8-18(30-24)16-11-27-20(10-26)28-12-16)29-23(32)21-14(3)34-31-22(21)15-4-6-17(25)7-5-15/h4-9,11-13H,10,26H2,1-3H3,(H,29,32)
InChIKeyZLLWBVZAQAHHAR-UHFFFAOYSA-N
XLogP4.14
TPSA129.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(aminomethyl)pyrimidin-5-yl]-2-propan-2-yloxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[6-[2-(aminomethyl)pyrimidin-5-yl]-2-propan-2-yloxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 166108669) is N-[6-[2-(aminomethyl)pyrimidin-5-yl]-2-propan-2-yloxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-[2-(aminomethyl)pyrimidin-5-yl]-2-propan-2-yloxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[6-[2-(aminomethyl)pyrimidin-5-yl]-2-propan-2-yloxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(-c2cnc(CN)nc2)nc1OC(C)C.
What is the InChIKey of N-[6-[2-(aminomethyl)pyrimidin-5-yl]-2-propan-2-yloxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is ZLLWBVZAQAHHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O3/c1-13(2)33-24-19(9-8-18(30-24)16-11-27-20(10-26)28-12-16)29-23(32)21-14(3)34-31-22(21)15-4-6-17(25)7-5-15/h4-9,11-13H,10,26H2,1-3H3,(H,29,32).
What are the key properties of N-[6-[2-(aminomethyl)pyrimidin-5-yl]-2-propan-2-yloxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-[6-[2-(aminomethyl)pyrimidin-5-yl]-2-propan-2-yloxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 462.49 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(aminomethyl)pyrimidin-5-yl]-2-propan-2-yloxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 166108669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).