5-[(2-fluoro-6-methoxyphenyl)methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H20FN5O2 — CID 58063332

IUPAC5-[(2-fluoro-6-methoxyphenyl)methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cccc(F)c1CNc1ccn2ncc(C(=O)NC(C)C)c2n1
InChIInChI=1S/C18H20FN5O2/c1-11(2)22-18(25)13-10-21-24-8-7-16(23-17(13)24)20-9-12-14(19)5-4-6-15(12)26-3/h4-8,10-11H,9H2,1-3H3,(H,20,23)(H,22,25)
InChIKeyASXUPFILEOGSGD-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.63
Rot. Bonds6

About 5-[(2-fluoro-6-methoxyphenyl)methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(2-fluoro-6-methoxyphenyl)methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58063332) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is 5-[(2-fluoro-6-methoxyphenyl)methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2-fluoro-6-methoxyphenyl)methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58063332
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name5-[(2-fluoro-6-methoxyphenyl)methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cccc(F)c1CNc1ccn2ncc(C(=O)NC(C)C)c2n1
InChIInChI=1S/C18H20FN5O2/c1-11(2)22-18(25)13-10-21-24-8-7-16(23-17(13)24)20-9-12-14(19)5-4-6-15(12)26-3/h4-8,10-11H,9H2,1-3H3,(H,20,23)(H,22,25)
InChIKeyASXUPFILEOGSGD-UHFFFAOYSA-N
XLogP2.63
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoro-6-methoxyphenyl)methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(2-fluoro-6-methoxyphenyl)methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58063332) is 5-[(2-fluoro-6-methoxyphenyl)methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(2-fluoro-6-methoxyphenyl)methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(2-fluoro-6-methoxyphenyl)methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cccc(F)c1CNc1ccn2ncc(C(=O)NC(C)C)c2n1.
What is the InChIKey of 5-[(2-fluoro-6-methoxyphenyl)methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ASXUPFILEOGSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-11(2)22-18(25)13-10-21-24-8-7-16(23-17(13)24)20-9-12-14(19)5-4-6-15(12)26-3/h4-8,10-11H,9H2,1-3H3,(H,20,23)(H,22,25).
What are the key properties of 5-[(2-fluoro-6-methoxyphenyl)methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2-fluoro-6-methoxyphenyl)methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoro-6-methoxyphenyl)methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58063332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).