N-(4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine

C17H15FN4O — CID 134806044

IUPACN-(4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine
SMILESCn1cc(-c2cnc(Nc3ccc(F)cc3)c3c2CCO3)cn1
InChIInChI=1S/C17H15FN4O/c1-22-10-11(8-20-22)15-9-19-17(16-14(15)6-7-23-16)21-13-4-2-12(18)3-5-13/h2-5,8-10H,6-7H2,1H3,(H,19,21)
InChIKeyMDTKRCAYFLQRLD-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.30
Rot. Bonds3

About N-(4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine

N-(4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine (PubChem CID 134806044) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine
PubChem CID134806044
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC NameN-(4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine
SMILESCn1cc(-c2cnc(Nc3ccc(F)cc3)c3c2CCO3)cn1
InChIInChI=1S/C17H15FN4O/c1-22-10-11(8-20-22)15-9-19-17(16-14(15)6-7-23-16)21-13-4-2-12(18)3-5-13/h2-5,8-10H,6-7H2,1H3,(H,19,21)
InChIKeyMDTKRCAYFLQRLD-UHFFFAOYSA-N
XLogP3.30
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine?
The IUPAC name of N-(4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine (CID 134806044) is N-(4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine.
What is the SMILES notation for N-(4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine?
The canonical SMILES for N-(4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine is Cn1cc(-c2cnc(Nc3ccc(F)cc3)c3c2CCO3)cn1.
What is the InChIKey of N-(4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine?
The InChIKey is MDTKRCAYFLQRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-22-10-11(8-20-22)15-9-19-17(16-14(15)6-7-23-16)21-13-4-2-12(18)3-5-13/h2-5,8-10H,6-7H2,1H3,(H,19,21).
What are the key properties of N-(4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine?
N-(4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine has a molecular weight of 310.33 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine is sourced from PubChem (CID 134806044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).