(4-fluoropiperidin-1-yl)-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone

C17H16FN5O — CID 156810835

IUPAC(4-fluoropiperidin-1-yl)-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
SMILESO=C(c1cnc2c(ccn2-c2cnccn2)c1)N1CCC(F)CC1
InChIInChI=1S/C17H16FN5O/c18-14-2-6-22(7-3-14)17(24)13-9-12-1-8-23(16(12)21-10-13)15-11-19-4-5-20-15/h1,4-5,8-11,14H,2-3,6-7H2
InChIKeyHJFOURPDASTDRO-UHFFFAOYSA-N
MW325.35 g/mol
LogP2.39
Rot. Bonds2

About (4-fluoropiperidin-1-yl)-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone

(4-fluoropiperidin-1-yl)-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone (PubChem CID 156810835) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is (4-fluoropiperidin-1-yl)-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(4-fluoropiperidin-1-yl)-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
PubChem CID156810835
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name(4-fluoropiperidin-1-yl)-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
SMILESO=C(c1cnc2c(ccn2-c2cnccn2)c1)N1CCC(F)CC1
InChIInChI=1S/C17H16FN5O/c18-14-2-6-22(7-3-14)17(24)13-9-12-1-8-23(16(12)21-10-13)15-11-19-4-5-20-15/h1,4-5,8-11,14H,2-3,6-7H2
InChIKeyHJFOURPDASTDRO-UHFFFAOYSA-N
XLogP2.39
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-fluoropiperidin-1-yl)-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?
The IUPAC name of (4-fluoropiperidin-1-yl)-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone (CID 156810835) is (4-fluoropiperidin-1-yl)-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone.
What is the SMILES notation for (4-fluoropiperidin-1-yl)-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?
The canonical SMILES for (4-fluoropiperidin-1-yl)-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone is O=C(c1cnc2c(ccn2-c2cnccn2)c1)N1CCC(F)CC1.
What is the InChIKey of (4-fluoropiperidin-1-yl)-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?
The InChIKey is HJFOURPDASTDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c18-14-2-6-22(7-3-14)17(24)13-9-12-1-8-23(16(12)21-10-13)15-11-19-4-5-20-15/h1,4-5,8-11,14H,2-3,6-7H2.
What are the key properties of (4-fluoropiperidin-1-yl)-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?
(4-fluoropiperidin-1-yl)-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone has a molecular weight of 325.35 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoropiperidin-1-yl)-(1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone is sourced from PubChem (CID 156810835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).