N-[(4-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine

C19H16FN5O — CID 126472232

IUPACN-[(4-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2cnn3c(NCc4ccc(F)cc4)ccnc23)cn1
InChIInChI=1S/C19H16FN5O/c1-26-18-7-4-14(11-23-18)16-12-24-25-17(8-9-21-19(16)25)22-10-13-2-5-15(20)6-3-13/h2-9,11-12,22H,10H2,1H3
InChIKeyAEXYSZVHLARXDH-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.55
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine

N-[(4-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 126472232) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID126472232
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2cnn3c(NCc4ccc(F)cc4)ccnc23)cn1
InChIInChI=1S/C19H16FN5O/c1-26-18-7-4-14(11-23-18)16-12-24-25-17(8-9-21-19(16)25)22-10-13-2-5-15(20)6-3-13/h2-9,11-12,22H,10H2,1H3
InChIKeyAEXYSZVHLARXDH-UHFFFAOYSA-N
XLogP3.55
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 126472232) is N-[(4-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2cnn3c(NCc4ccc(F)cc4)ccnc23)cn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AEXYSZVHLARXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-26-18-7-4-14(11-23-18)16-12-24-25-17(8-9-21-19(16)25)22-10-13-2-5-15(20)6-3-13/h2-9,11-12,22H,10H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-[(4-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 349.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 126472232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).