(3R)-3-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one

C19H19FN6O — CID 162740251

IUPAC(3R)-3-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one
SMILESCc1ncc(C[C@H]2CCCN(c3n[nH]c(-c4ccncc4)n3)C2=O)cc1F
InChIInChI=1S/C19H19FN6O/c1-12-16(20)10-13(11-22-12)9-15-3-2-8-26(18(15)27)19-23-17(24-25-19)14-4-6-21-7-5-14/h4-7,10-11,15H,2-3,8-9H2,1H3,(H,23,24,25)/t15-/m1/s1
InChIKeyBOOBOIJDNBGOPW-OAHLLOKOSA-N
MW366.40 g/mol
LogP2.69
Rot. Bonds4

About (3R)-3-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one

(3R)-3-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one (PubChem CID 162740251) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is (3R)-3-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one
PubChem CID162740251
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name(3R)-3-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one
SMILESCc1ncc(C[C@H]2CCCN(c3n[nH]c(-c4ccncc4)n3)C2=O)cc1F
InChIInChI=1S/C19H19FN6O/c1-12-16(20)10-13(11-22-12)9-15-3-2-8-26(18(15)27)19-23-17(24-25-19)14-4-6-21-7-5-14/h4-7,10-11,15H,2-3,8-9H2,1H3,(H,23,24,25)/t15-/m1/s1
InChIKeyBOOBOIJDNBGOPW-OAHLLOKOSA-N
XLogP2.69
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one?
The IUPAC name of (3R)-3-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one (CID 162740251) is (3R)-3-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one.
What is the SMILES notation for (3R)-3-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one?
The canonical SMILES for (3R)-3-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one is Cc1ncc(C[C@H]2CCCN(c3n[nH]c(-c4ccncc4)n3)C2=O)cc1F.
What is the InChIKey of (3R)-3-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one?
The InChIKey is BOOBOIJDNBGOPW-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19FN6O/c1-12-16(20)10-13(11-22-12)9-15-3-2-8-26(18(15)27)19-23-17(24-25-19)14-4-6-21-7-5-14/h4-7,10-11,15H,2-3,8-9H2,1H3,(H,23,24,25)/t15-/m1/s1.
What are the key properties of (3R)-3-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one?
(3R)-3-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one has a molecular weight of 366.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one is sourced from PubChem (CID 162740251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).