1-[4-amino-7-(3,4-difluorophenyl)-2-(hydroxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol

C20H19F2N5O2 — CID 58970701

IUPAC1-[4-amino-7-(3,4-difluorophenyl)-2-(hydroxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1c(CO)nc2c(N)nc3cc(-c4ccc(F)c(F)c4)cnc3c21
InChIInChI=1S/C20H19F2N5O2/c1-20(2,29)9-27-15(8-28)26-17-18(27)16-14(25-19(17)23)6-11(7-24-16)10-3-4-12(21)13(22)5-10/h3-7,28-29H,8-9H2,1-2H3,(H2,23,25)
InChIKeyHAMBRDKWLFNSJD-UHFFFAOYSA-N
MW399.40 g/mol
LogP2.77
Rot. Bonds4

About 1-[4-amino-7-(3,4-difluorophenyl)-2-(hydroxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol

1-[4-amino-7-(3,4-difluorophenyl)-2-(hydroxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol (PubChem CID 58970701) has the molecular formula C20H19F2N5O2 and a molecular weight of 399.40 g/mol. Its IUPAC name is 1-[4-amino-7-(3,4-difluorophenyl)-2-(hydroxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-amino-7-(3,4-difluorophenyl)-2-(hydroxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol
PubChem CID58970701
Molecular FormulaC20H19F2N5O2
Molecular Weight399.40 g/mol
Exact Mass399.15
IUPAC Name1-[4-amino-7-(3,4-difluorophenyl)-2-(hydroxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1c(CO)nc2c(N)nc3cc(-c4ccc(F)c(F)c4)cnc3c21
InChIInChI=1S/C20H19F2N5O2/c1-20(2,29)9-27-15(8-28)26-17-18(27)16-14(25-19(17)23)6-11(7-24-16)10-3-4-12(21)13(22)5-10/h3-7,28-29H,8-9H2,1-2H3,(H2,23,25)
InChIKeyHAMBRDKWLFNSJD-UHFFFAOYSA-N
XLogP2.77
TPSA110.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-7-(3,4-difluorophenyl)-2-(hydroxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-amino-7-(3,4-difluorophenyl)-2-(hydroxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol (CID 58970701) is 1-[4-amino-7-(3,4-difluorophenyl)-2-(hydroxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-amino-7-(3,4-difluorophenyl)-2-(hydroxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-amino-7-(3,4-difluorophenyl)-2-(hydroxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol is CC(C)(O)Cn1c(CO)nc2c(N)nc3cc(-c4ccc(F)c(F)c4)cnc3c21.
What is the InChIKey of 1-[4-amino-7-(3,4-difluorophenyl)-2-(hydroxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol?
The InChIKey is HAMBRDKWLFNSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O2/c1-20(2,29)9-27-15(8-28)26-17-18(27)16-14(25-19(17)23)6-11(7-24-16)10-3-4-12(21)13(22)5-10/h3-7,28-29H,8-9H2,1-2H3,(H2,23,25).
What are the key properties of 1-[4-amino-7-(3,4-difluorophenyl)-2-(hydroxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol?
1-[4-amino-7-(3,4-difluorophenyl)-2-(hydroxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol has a molecular weight of 399.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-7-(3,4-difluorophenyl)-2-(hydroxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 58970701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).