(4-fluoropiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone

C19H19FN4O — CID 156811435

IUPAC(4-fluoropiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone
SMILESCc1cn(-c2cncnc2)c2ccc(C(=O)N3CCC(F)CC3)cc12
InChIInChI=1S/C19H19FN4O/c1-13-11-24(16-9-21-12-22-10-16)18-3-2-14(8-17(13)18)19(25)23-6-4-15(20)5-7-23/h2-3,8-12,15H,4-7H2,1H3
InChIKeyUDXSQIGDNLUROW-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.30
Rot. Bonds2

About (4-fluoropiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone

(4-fluoropiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone (PubChem CID 156811435) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is (4-fluoropiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone.

Molecular Properties

Compound Name(4-fluoropiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone
PubChem CID156811435
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name(4-fluoropiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone
SMILESCc1cn(-c2cncnc2)c2ccc(C(=O)N3CCC(F)CC3)cc12
InChIInChI=1S/C19H19FN4O/c1-13-11-24(16-9-21-12-22-10-16)18-3-2-14(8-17(13)18)19(25)23-6-4-15(20)5-7-23/h2-3,8-12,15H,4-7H2,1H3
InChIKeyUDXSQIGDNLUROW-UHFFFAOYSA-N
XLogP3.30
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluoropiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone?
The IUPAC name of (4-fluoropiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone (CID 156811435) is (4-fluoropiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone.
What is the SMILES notation for (4-fluoropiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone?
The canonical SMILES for (4-fluoropiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone is Cc1cn(-c2cncnc2)c2ccc(C(=O)N3CCC(F)CC3)cc12.
What is the InChIKey of (4-fluoropiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone?
The InChIKey is UDXSQIGDNLUROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-13-11-24(16-9-21-12-22-10-16)18-3-2-14(8-17(13)18)19(25)23-6-4-15(20)5-7-23/h2-3,8-12,15H,4-7H2,1H3.
What are the key properties of (4-fluoropiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone?
(4-fluoropiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone has a molecular weight of 338.39 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoropiperidin-1-yl)-(3-methyl-1-pyrimidin-5-ylindol-5-yl)methanone is sourced from PubChem (CID 156811435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).