(3S,4R)-4-[[8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]amino]pyrrolidin-3-ol

C19H17F3N4O — CID 169259312

IUPAC(3S,4R)-4-[[8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]amino]pyrrolidin-3-ol
SMILESO[C@H]1CNC[C@H]1Nc1ncc(-c2ccc(C(F)(F)F)cc2)c2ncccc12
InChIInChI=1S/C19H17F3N4O/c20-19(21,22)12-5-3-11(4-6-12)14-8-25-18(13-2-1-7-24-17(13)14)26-15-9-23-10-16(15)27/h1-8,15-16,23,27H,9-10H2,(H,25,26)/t15-,16+/m1/s1
InChIKeyHUFXTCPRLAFTCH-CVEARBPZSA-N
MW374.37 g/mol
LogP3.06
Rot. Bonds3

About (3S,4R)-4-[[8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]amino]pyrrolidin-3-ol

(3S,4R)-4-[[8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]amino]pyrrolidin-3-ol (PubChem CID 169259312) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is (3S,4R)-4-[[8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]amino]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[[8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]amino]pyrrolidin-3-ol
PubChem CID169259312
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name(3S,4R)-4-[[8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]amino]pyrrolidin-3-ol
SMILESO[C@H]1CNC[C@H]1Nc1ncc(-c2ccc(C(F)(F)F)cc2)c2ncccc12
InChIInChI=1S/C19H17F3N4O/c20-19(21,22)12-5-3-11(4-6-12)14-8-25-18(13-2-1-7-24-17(13)14)26-15-9-23-10-16(15)27/h1-8,15-16,23,27H,9-10H2,(H,25,26)/t15-,16+/m1/s1
InChIKeyHUFXTCPRLAFTCH-CVEARBPZSA-N
XLogP3.06
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[[8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]amino]pyrrolidin-3-ol?
The IUPAC name of (3S,4R)-4-[[8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]amino]pyrrolidin-3-ol (CID 169259312) is (3S,4R)-4-[[8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]amino]pyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-4-[[8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]amino]pyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-4-[[8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]amino]pyrrolidin-3-ol is O[C@H]1CNC[C@H]1Nc1ncc(-c2ccc(C(F)(F)F)cc2)c2ncccc12.
What is the InChIKey of (3S,4R)-4-[[8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]amino]pyrrolidin-3-ol?
The InChIKey is HUFXTCPRLAFTCH-CVEARBPZSA-N. The full InChI is InChI=1S/C19H17F3N4O/c20-19(21,22)12-5-3-11(4-6-12)14-8-25-18(13-2-1-7-24-17(13)14)26-15-9-23-10-16(15)27/h1-8,15-16,23,27H,9-10H2,(H,25,26)/t15-,16+/m1/s1.
What are the key properties of (3S,4R)-4-[[8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]amino]pyrrolidin-3-ol?
(3S,4R)-4-[[8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]amino]pyrrolidin-3-ol has a molecular weight of 374.37 g/mol, XLogP of 3.06, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[[8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]amino]pyrrolidin-3-ol is sourced from PubChem (CID 169259312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).