2-[4-[5-[[(3R)-3-fluoropiperidin-3-yl]methylamino]-1,6-naphthyridin-7-yl]pyrazol-1-yl]ethanol

C19H23FN6O — CID 67461777

IUPAC2-[4-[5-[[(3R)-3-fluoropiperidin-3-yl]methylamino]-1,6-naphthyridin-7-yl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2cc3ncccc3c(NC[C@@]3(F)CCCNC3)n2)cn1
InChIInChI=1S/C19H23FN6O/c20-19(4-2-5-21-12-19)13-23-18-15-3-1-6-22-17(15)9-16(25-18)14-10-24-26(11-14)7-8-27/h1,3,6,9-11,21,27H,2,4-5,7-8,12-13H2,(H,23,25)/t19-/m1/s1
InChIKeyKQGMPOUSKNYSBF-LJQANCHMSA-N
MW370.43 g/mol
LogP1.99
Rot. Bonds6

About 2-[4-[5-[[(3R)-3-fluoropiperidin-3-yl]methylamino]-1,6-naphthyridin-7-yl]pyrazol-1-yl]ethanol

2-[4-[5-[[(3R)-3-fluoropiperidin-3-yl]methylamino]-1,6-naphthyridin-7-yl]pyrazol-1-yl]ethanol (PubChem CID 67461777) has the molecular formula C19H23FN6O and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-[4-[5-[[(3R)-3-fluoropiperidin-3-yl]methylamino]-1,6-naphthyridin-7-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-[[(3R)-3-fluoropiperidin-3-yl]methylamino]-1,6-naphthyridin-7-yl]pyrazol-1-yl]ethanol
PubChem CID67461777
Molecular FormulaC19H23FN6O
Molecular Weight370.43 g/mol
Exact Mass370.19
IUPAC Name2-[4-[5-[[(3R)-3-fluoropiperidin-3-yl]methylamino]-1,6-naphthyridin-7-yl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2cc3ncccc3c(NC[C@@]3(F)CCCNC3)n2)cn1
InChIInChI=1S/C19H23FN6O/c20-19(4-2-5-21-12-19)13-23-18-15-3-1-6-22-17(15)9-16(25-18)14-10-24-26(11-14)7-8-27/h1,3,6,9-11,21,27H,2,4-5,7-8,12-13H2,(H,23,25)/t19-/m1/s1
InChIKeyKQGMPOUSKNYSBF-LJQANCHMSA-N
XLogP1.99
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[[(3R)-3-fluoropiperidin-3-yl]methylamino]-1,6-naphthyridin-7-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[5-[[(3R)-3-fluoropiperidin-3-yl]methylamino]-1,6-naphthyridin-7-yl]pyrazol-1-yl]ethanol (CID 67461777) is 2-[4-[5-[[(3R)-3-fluoropiperidin-3-yl]methylamino]-1,6-naphthyridin-7-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-[[(3R)-3-fluoropiperidin-3-yl]methylamino]-1,6-naphthyridin-7-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-[[(3R)-3-fluoropiperidin-3-yl]methylamino]-1,6-naphthyridin-7-yl]pyrazol-1-yl]ethanol is OCCn1cc(-c2cc3ncccc3c(NC[C@@]3(F)CCCNC3)n2)cn1.
What is the InChIKey of 2-[4-[5-[[(3R)-3-fluoropiperidin-3-yl]methylamino]-1,6-naphthyridin-7-yl]pyrazol-1-yl]ethanol?
The InChIKey is KQGMPOUSKNYSBF-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23FN6O/c20-19(4-2-5-21-12-19)13-23-18-15-3-1-6-22-17(15)9-16(25-18)14-10-24-26(11-14)7-8-27/h1,3,6,9-11,21,27H,2,4-5,7-8,12-13H2,(H,23,25)/t19-/m1/s1.
What are the key properties of 2-[4-[5-[[(3R)-3-fluoropiperidin-3-yl]methylamino]-1,6-naphthyridin-7-yl]pyrazol-1-yl]ethanol?
2-[4-[5-[[(3R)-3-fluoropiperidin-3-yl]methylamino]-1,6-naphthyridin-7-yl]pyrazol-1-yl]ethanol has a molecular weight of 370.43 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[[(3R)-3-fluoropiperidin-3-yl]methylamino]-1,6-naphthyridin-7-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 67461777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).