N-[2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide

C17H23FN6O2 — CID 74223587

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide
SMILESCOC[C@H]1CCCN1c1nc(-n2nc(C)cc2C)nc(NC(C)=O)c1F
InChIInChI=1S/C17H23FN6O2/c1-10-8-11(2)24(22-10)17-20-15(19-12(3)25)14(18)16(21-17)23-7-5-6-13(23)9-26-4/h8,13H,5-7,9H2,1-4H3,(H,19,20,21,25)/t13-/m1/s1
InChIKeyBNPDIZOACITSPG-CYBMUJFWSA-N
MW362.41 g/mol
LogP1.99
Rot. Bonds5

About N-[2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide

N-[2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide (PubChem CID 74223587) has the molecular formula C17H23FN6O2 and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide
PubChem CID74223587
Molecular FormulaC17H23FN6O2
Molecular Weight362.41 g/mol
Exact Mass362.19
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide
SMILESCOC[C@H]1CCCN1c1nc(-n2nc(C)cc2C)nc(NC(C)=O)c1F
InChIInChI=1S/C17H23FN6O2/c1-10-8-11(2)24(22-10)17-20-15(19-12(3)25)14(18)16(21-17)23-7-5-6-13(23)9-26-4/h8,13H,5-7,9H2,1-4H3,(H,19,20,21,25)/t13-/m1/s1
InChIKeyBNPDIZOACITSPG-CYBMUJFWSA-N
XLogP1.99
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide (CID 74223587) is N-[2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide is COC[C@H]1CCCN1c1nc(-n2nc(C)cc2C)nc(NC(C)=O)c1F.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide?
The InChIKey is BNPDIZOACITSPG-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23FN6O2/c1-10-8-11(2)24(22-10)17-20-15(19-12(3)25)14(18)16(21-17)23-7-5-6-13(23)9-26-4/h8,13H,5-7,9H2,1-4H3,(H,19,20,21,25)/t13-/m1/s1.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide has a molecular weight of 362.41 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 74223587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).