N-[4-(2-fluoro-3-methoxyphenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H21FN4O3 — CID 126763769

IUPACN-[4-(2-fluoro-3-methoxyphenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cccc(C2(NC(=O)c3cnn4cc(C)cnc34)CCOCC2)c1F
InChIInChI=1S/C20H21FN4O3/c1-13-10-22-18-14(11-23-25(18)12-13)19(26)24-20(6-8-28-9-7-20)15-4-3-5-16(27-2)17(15)21/h3-5,10-12H,6-9H2,1-2H3,(H,24,26)
InChIKeyBHUNFRHOSNTECB-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.62
Rot. Bonds4

About N-[4-(2-fluoro-3-methoxyphenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-(2-fluoro-3-methoxyphenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 126763769) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is N-[4-(2-fluoro-3-methoxyphenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-fluoro-3-methoxyphenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID126763769
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC NameN-[4-(2-fluoro-3-methoxyphenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cccc(C2(NC(=O)c3cnn4cc(C)cnc34)CCOCC2)c1F
InChIInChI=1S/C20H21FN4O3/c1-13-10-22-18-14(11-23-25(18)12-13)19(26)24-20(6-8-28-9-7-20)15-4-3-5-16(27-2)17(15)21/h3-5,10-12H,6-9H2,1-2H3,(H,24,26)
InChIKeyBHUNFRHOSNTECB-UHFFFAOYSA-N
XLogP2.62
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluoro-3-methoxyphenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-(2-fluoro-3-methoxyphenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 126763769) is N-[4-(2-fluoro-3-methoxyphenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-(2-fluoro-3-methoxyphenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-(2-fluoro-3-methoxyphenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cccc(C2(NC(=O)c3cnn4cc(C)cnc34)CCOCC2)c1F.
What is the InChIKey of N-[4-(2-fluoro-3-methoxyphenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BHUNFRHOSNTECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-13-10-22-18-14(11-23-25(18)12-13)19(26)24-20(6-8-28-9-7-20)15-4-3-5-16(27-2)17(15)21/h3-5,10-12H,6-9H2,1-2H3,(H,24,26).
What are the key properties of N-[4-(2-fluoro-3-methoxyphenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-(2-fluoro-3-methoxyphenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluoro-3-methoxyphenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 126763769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).