(3R,5S)-5-(hydroxymethyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol

C13H15N3O2 — CID 154742177

IUPAC(3R,5S)-5-(hydroxymethyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol
SMILESOC[C@@H]1C[C@@H](O)CN1c1ccnc2ccncc12
InChIInChI=1S/C13H15N3O2/c17-8-9-5-10(18)7-16(9)13-2-4-15-12-1-3-14-6-11(12)13/h1-4,6,9-10,17-18H,5,7-8H2/t9-,10+/m0/s1
InChIKeyDHCTUSXSGMYSBV-VHSXEESVSA-N
MW245.28 g/mol
LogP0.56
Rot. Bonds2

About (3R,5S)-5-(hydroxymethyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol

(3R,5S)-5-(hydroxymethyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol (PubChem CID 154742177) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (3R,5S)-5-(hydroxymethyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-(hydroxymethyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol
PubChem CID154742177
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(3R,5S)-5-(hydroxymethyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol
SMILESOC[C@@H]1C[C@@H](O)CN1c1ccnc2ccncc12
InChIInChI=1S/C13H15N3O2/c17-8-9-5-10(18)7-16(9)13-2-4-15-12-1-3-14-6-11(12)13/h1-4,6,9-10,17-18H,5,7-8H2/t9-,10+/m0/s1
InChIKeyDHCTUSXSGMYSBV-VHSXEESVSA-N
XLogP0.56
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,5S)-5-(hydroxymethyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(hydroxymethyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-5-(hydroxymethyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol (CID 154742177) is (3R,5S)-5-(hydroxymethyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-5-(hydroxymethyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-5-(hydroxymethyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol is OC[C@@H]1C[C@@H](O)CN1c1ccnc2ccncc12.
What is the InChIKey of (3R,5S)-5-(hydroxymethyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol?
The InChIKey is DHCTUSXSGMYSBV-VHSXEESVSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-8-9-5-10(18)7-16(9)13-2-4-15-12-1-3-14-6-11(12)13/h1-4,6,9-10,17-18H,5,7-8H2/t9-,10+/m0/s1.
What are the key properties of (3R,5S)-5-(hydroxymethyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol?
(3R,5S)-5-(hydroxymethyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol has a molecular weight of 245.28 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-(hydroxymethyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 154742177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).