7-(2-fluoro-4-methoxyphenyl)-2-[(2-methyl-4-pyridinyl)oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

C21H18FN5O3 — CID 155555318

IUPAC7-(2-fluoro-4-methoxyphenyl)-2-[(2-methyl-4-pyridinyl)oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)nc3cc(COc4ccnc(C)c4)nn23)c(F)c1
InChIInChI=1S/C21H18FN5O3/c1-12-7-15(5-6-24-12)30-11-13-8-20-25-18(21(23)28)10-19(27(20)26-13)16-4-3-14(29-2)9-17(16)22/h3-10H,11H2,1-2H3,(H2,23,28)
InChIKeyMPWWLQIIISGPIT-UHFFFAOYSA-N
MW407.41 g/mol
LogP2.93
Rot. Bonds6

About 7-(2-fluoro-4-methoxyphenyl)-2-[(2-methyl-4-pyridinyl)oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

7-(2-fluoro-4-methoxyphenyl)-2-[(2-methyl-4-pyridinyl)oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 155555318) has the molecular formula C21H18FN5O3 and a molecular weight of 407.41 g/mol. Its IUPAC name is 7-(2-fluoro-4-methoxyphenyl)-2-[(2-methyl-4-pyridinyl)oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-(2-fluoro-4-methoxyphenyl)-2-[(2-methyl-4-pyridinyl)oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID155555318
Molecular FormulaC21H18FN5O3
Molecular Weight407.41 g/mol
Exact Mass407.14
IUPAC Name7-(2-fluoro-4-methoxyphenyl)-2-[(2-methyl-4-pyridinyl)oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)nc3cc(COc4ccnc(C)c4)nn23)c(F)c1
InChIInChI=1S/C21H18FN5O3/c1-12-7-15(5-6-24-12)30-11-13-8-20-25-18(21(23)28)10-19(27(20)26-13)16-4-3-14(29-2)9-17(16)22/h3-10H,11H2,1-2H3,(H2,23,28)
InChIKeyMPWWLQIIISGPIT-UHFFFAOYSA-N
XLogP2.93
TPSA104.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-4-methoxyphenyl)-2-[(2-methyl-4-pyridinyl)oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 7-(2-fluoro-4-methoxyphenyl)-2-[(2-methyl-4-pyridinyl)oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 155555318) is 7-(2-fluoro-4-methoxyphenyl)-2-[(2-methyl-4-pyridinyl)oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-(2-fluoro-4-methoxyphenyl)-2-[(2-methyl-4-pyridinyl)oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 7-(2-fluoro-4-methoxyphenyl)-2-[(2-methyl-4-pyridinyl)oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is COc1ccc(-c2cc(C(N)=O)nc3cc(COc4ccnc(C)c4)nn23)c(F)c1.
What is the InChIKey of 7-(2-fluoro-4-methoxyphenyl)-2-[(2-methyl-4-pyridinyl)oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is MPWWLQIIISGPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O3/c1-12-7-15(5-6-24-12)30-11-13-8-20-25-18(21(23)28)10-19(27(20)26-13)16-4-3-14(29-2)9-17(16)22/h3-10H,11H2,1-2H3,(H2,23,28).
What are the key properties of 7-(2-fluoro-4-methoxyphenyl)-2-[(2-methyl-4-pyridinyl)oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
7-(2-fluoro-4-methoxyphenyl)-2-[(2-methyl-4-pyridinyl)oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 407.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-4-methoxyphenyl)-2-[(2-methyl-4-pyridinyl)oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 155555318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).