N-[(3-amino-4-fluorophenyl)methyl]-7-[1-(oxan-2-yl)pyrazol-4-yl]-2,3-dihydrofuro[3,2-c]pyridin-4-amine

C22H24FN5O2 — CID 164526515

IUPACN-[(3-amino-4-fluorophenyl)methyl]-7-[1-(oxan-2-yl)pyrazol-4-yl]-2,3-dihydrofuro[3,2-c]pyridin-4-amine
SMILESNc1cc(CNc2ncc(-c3cnn(C4CCCCO4)c3)c3c2CCO3)ccc1F
InChIInChI=1S/C22H24FN5O2/c23-18-5-4-14(9-19(18)24)10-25-22-16-6-8-30-21(16)17(12-26-22)15-11-27-28(13-15)20-3-1-2-7-29-20/h4-5,9,11-13,20H,1-3,6-8,10,24H2,(H,25,26)
InChIKeyRURLPJXMDBIUGF-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.91
Rot. Bonds5

About N-[(3-amino-4-fluorophenyl)methyl]-7-[1-(oxan-2-yl)pyrazol-4-yl]-2,3-dihydrofuro[3,2-c]pyridin-4-amine

N-[(3-amino-4-fluorophenyl)methyl]-7-[1-(oxan-2-yl)pyrazol-4-yl]-2,3-dihydrofuro[3,2-c]pyridin-4-amine (PubChem CID 164526515) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is N-[(3-amino-4-fluorophenyl)methyl]-7-[1-(oxan-2-yl)pyrazol-4-yl]-2,3-dihydrofuro[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[(3-amino-4-fluorophenyl)methyl]-7-[1-(oxan-2-yl)pyrazol-4-yl]-2,3-dihydrofuro[3,2-c]pyridin-4-amine
PubChem CID164526515
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC NameN-[(3-amino-4-fluorophenyl)methyl]-7-[1-(oxan-2-yl)pyrazol-4-yl]-2,3-dihydrofuro[3,2-c]pyridin-4-amine
SMILESNc1cc(CNc2ncc(-c3cnn(C4CCCCO4)c3)c3c2CCO3)ccc1F
InChIInChI=1S/C22H24FN5O2/c23-18-5-4-14(9-19(18)24)10-25-22-16-6-8-30-21(16)17(12-26-22)15-11-27-28(13-15)20-3-1-2-7-29-20/h4-5,9,11-13,20H,1-3,6-8,10,24H2,(H,25,26)
InChIKeyRURLPJXMDBIUGF-UHFFFAOYSA-N
XLogP3.91
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-4-fluorophenyl)methyl]-7-[1-(oxan-2-yl)pyrazol-4-yl]-2,3-dihydrofuro[3,2-c]pyridin-4-amine?
The IUPAC name of N-[(3-amino-4-fluorophenyl)methyl]-7-[1-(oxan-2-yl)pyrazol-4-yl]-2,3-dihydrofuro[3,2-c]pyridin-4-amine (CID 164526515) is N-[(3-amino-4-fluorophenyl)methyl]-7-[1-(oxan-2-yl)pyrazol-4-yl]-2,3-dihydrofuro[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-[(3-amino-4-fluorophenyl)methyl]-7-[1-(oxan-2-yl)pyrazol-4-yl]-2,3-dihydrofuro[3,2-c]pyridin-4-amine?
The canonical SMILES for N-[(3-amino-4-fluorophenyl)methyl]-7-[1-(oxan-2-yl)pyrazol-4-yl]-2,3-dihydrofuro[3,2-c]pyridin-4-amine is Nc1cc(CNc2ncc(-c3cnn(C4CCCCO4)c3)c3c2CCO3)ccc1F.
What is the InChIKey of N-[(3-amino-4-fluorophenyl)methyl]-7-[1-(oxan-2-yl)pyrazol-4-yl]-2,3-dihydrofuro[3,2-c]pyridin-4-amine?
The InChIKey is RURLPJXMDBIUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c23-18-5-4-14(9-19(18)24)10-25-22-16-6-8-30-21(16)17(12-26-22)15-11-27-28(13-15)20-3-1-2-7-29-20/h4-5,9,11-13,20H,1-3,6-8,10,24H2,(H,25,26).
What are the key properties of N-[(3-amino-4-fluorophenyl)methyl]-7-[1-(oxan-2-yl)pyrazol-4-yl]-2,3-dihydrofuro[3,2-c]pyridin-4-amine?
N-[(3-amino-4-fluorophenyl)methyl]-7-[1-(oxan-2-yl)pyrazol-4-yl]-2,3-dihydrofuro[3,2-c]pyridin-4-amine has a molecular weight of 409.47 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-4-fluorophenyl)methyl]-7-[1-(oxan-2-yl)pyrazol-4-yl]-2,3-dihydrofuro[3,2-c]pyridin-4-amine is sourced from PubChem (CID 164526515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).