N-(3-methoxyphenyl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine

C18H15N5O — CID 155526736

IUPACN-(3-methoxyphenyl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine
SMILESCOc1cccc(Nc2nccc(-c3cnn4ccccc34)n2)c1
InChIInChI=1S/C18H15N5O/c1-24-14-6-4-5-13(11-14)21-18-19-9-8-16(22-18)15-12-20-23-10-3-2-7-17(15)23/h2-12H,1H3,(H,19,21,22)
InChIKeyKRMULRLCFWUSFD-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.54
Rot. Bonds4

About N-(3-methoxyphenyl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine

N-(3-methoxyphenyl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine (PubChem CID 155526736) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine
PubChem CID155526736
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC NameN-(3-methoxyphenyl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine
SMILESCOc1cccc(Nc2nccc(-c3cnn4ccccc34)n2)c1
InChIInChI=1S/C18H15N5O/c1-24-14-6-4-5-13(11-14)21-18-19-9-8-16(22-18)15-12-20-23-10-3-2-7-17(15)23/h2-12H,1H3,(H,19,21,22)
InChIKeyKRMULRLCFWUSFD-UHFFFAOYSA-N
XLogP3.54
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of N-(3-methoxyphenyl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine (CID 155526736) is N-(3-methoxyphenyl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-(3-methoxyphenyl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine is COc1cccc(Nc2nccc(-c3cnn4ccccc34)n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine?
The InChIKey is KRMULRLCFWUSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-24-14-6-4-5-13(11-14)21-18-19-9-8-16(22-18)15-12-20-23-10-3-2-7-17(15)23/h2-12H,1H3,(H,19,21,22).
What are the key properties of N-(3-methoxyphenyl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine?
N-(3-methoxyphenyl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine has a molecular weight of 317.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 155526736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).