[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyridin-3-ylmethanamine

C19H17N5O — CID 69107746

IUPAC[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyridin-3-ylmethanamine
SMILESCOc1ccc(-c2cnn3ccc(C(N)c4cccnc4)nc23)cc1
InChIInChI=1S/C19H17N5O/c1-25-15-6-4-13(5-7-15)16-12-22-24-10-8-17(23-19(16)24)18(20)14-3-2-9-21-11-14/h2-12,18H,20H2,1H3
InChIKeyBRVMTNZNTSXFRL-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.85
Rot. Bonds4

About [3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyridin-3-ylmethanamine

[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyridin-3-ylmethanamine (PubChem CID 69107746) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyridin-3-ylmethanamine
PubChem CID69107746
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyridin-3-ylmethanamine
SMILESCOc1ccc(-c2cnn3ccc(C(N)c4cccnc4)nc23)cc1
InChIInChI=1S/C19H17N5O/c1-25-15-6-4-13(5-7-15)16-12-22-24-10-8-17(23-19(16)24)18(20)14-3-2-9-21-11-14/h2-12,18H,20H2,1H3
InChIKeyBRVMTNZNTSXFRL-UHFFFAOYSA-N
XLogP2.85
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyridin-3-ylmethanamine?
The IUPAC name of [3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyridin-3-ylmethanamine (CID 69107746) is [3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyridin-3-ylmethanamine.
What is the SMILES notation for [3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyridin-3-ylmethanamine?
The canonical SMILES for [3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyridin-3-ylmethanamine is COc1ccc(-c2cnn3ccc(C(N)c4cccnc4)nc23)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyridin-3-ylmethanamine?
The InChIKey is BRVMTNZNTSXFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-25-15-6-4-13(5-7-15)16-12-22-24-10-8-17(23-19(16)24)18(20)14-3-2-9-21-11-14/h2-12,18H,20H2,1H3.
What are the key properties of [3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyridin-3-ylmethanamine?
[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyridin-3-ylmethanamine has a molecular weight of 331.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyridin-3-ylmethanamine is sourced from PubChem (CID 69107746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).