N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[3-fluoro-5-(morpholin-4-ylmethyl)phenoxy]acetamide

C27H29FN6O4 — CID 24739813

IUPACN-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[3-fluoro-5-(morpholin-4-ylmethyl)phenoxy]acetamide
SMILESCc1cc(C)n(-c2cc(NC(=O)COc3cc(F)cc(CN4CCOCC4)c3)nc(-c3ccc(C)o3)n2)n1
InChIInChI=1S/C27H29FN6O4/c1-17-10-18(2)34(32-17)25-14-24(30-27(31-25)23-5-4-19(3)38-23)29-26(35)16-37-22-12-20(11-21(28)13-22)15-33-6-8-36-9-7-33/h4-5,10-14H,6-9,15-16H2,1-3H3,(H,29,30,31,35)
InChIKeyUAMWVBDBNFYGKK-UHFFFAOYSA-N
MW520.57 g/mol
LogP3.84
Rot. Bonds8

About N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[3-fluoro-5-(morpholin-4-ylmethyl)phenoxy]acetamide

N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[3-fluoro-5-(morpholin-4-ylmethyl)phenoxy]acetamide (PubChem CID 24739813) has the molecular formula C27H29FN6O4 and a molecular weight of 520.57 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[3-fluoro-5-(morpholin-4-ylmethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[3-fluoro-5-(morpholin-4-ylmethyl)phenoxy]acetamide
PubChem CID24739813
Molecular FormulaC27H29FN6O4
Molecular Weight520.57 g/mol
Exact Mass520.22
IUPAC NameN-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[3-fluoro-5-(morpholin-4-ylmethyl)phenoxy]acetamide
SMILESCc1cc(C)n(-c2cc(NC(=O)COc3cc(F)cc(CN4CCOCC4)c3)nc(-c3ccc(C)o3)n2)n1
InChIInChI=1S/C27H29FN6O4/c1-17-10-18(2)34(32-17)25-14-24(30-27(31-25)23-5-4-19(3)38-23)29-26(35)16-37-22-12-20(11-21(28)13-22)15-33-6-8-36-9-7-33/h4-5,10-14H,6-9,15-16H2,1-3H3,(H,29,30,31,35)
InChIKeyUAMWVBDBNFYGKK-UHFFFAOYSA-N
XLogP3.84
TPSA107.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.57
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[3-fluoro-5-(morpholin-4-ylmethyl)phenoxy]acetamide?
The IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[3-fluoro-5-(morpholin-4-ylmethyl)phenoxy]acetamide (CID 24739813) is N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[3-fluoro-5-(morpholin-4-ylmethyl)phenoxy]acetamide.
What is the SMILES notation for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[3-fluoro-5-(morpholin-4-ylmethyl)phenoxy]acetamide?
The canonical SMILES for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[3-fluoro-5-(morpholin-4-ylmethyl)phenoxy]acetamide is Cc1cc(C)n(-c2cc(NC(=O)COc3cc(F)cc(CN4CCOCC4)c3)nc(-c3ccc(C)o3)n2)n1.
What is the InChIKey of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[3-fluoro-5-(morpholin-4-ylmethyl)phenoxy]acetamide?
The InChIKey is UAMWVBDBNFYGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN6O4/c1-17-10-18(2)34(32-17)25-14-24(30-27(31-25)23-5-4-19(3)38-23)29-26(35)16-37-22-12-20(11-21(28)13-22)15-33-6-8-36-9-7-33/h4-5,10-14H,6-9,15-16H2,1-3H3,(H,29,30,31,35).
What are the key properties of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[3-fluoro-5-(morpholin-4-ylmethyl)phenoxy]acetamide?
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[3-fluoro-5-(morpholin-4-ylmethyl)phenoxy]acetamide has a molecular weight of 520.57 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[3-fluoro-5-(morpholin-4-ylmethyl)phenoxy]acetamide is sourced from PubChem (CID 24739813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).