(1-methyltriazol-4-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone

C22H21N7O — CID 155975295

IUPAC(1-methyltriazol-4-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)nn1
InChIInChI=1S/C22H21N7O/c1-28-14-20(26-27-28)22(30)29-10-6-16(7-11-29)19-3-2-17-12-18(13-24-21(17)25-19)15-4-8-23-9-5-15/h2-5,8-9,12-14,16H,6-7,10-11H2,1H3
InChIKeyUQBAOTQMKBBJLG-UHFFFAOYSA-N
MW399.46 g/mol
LogP2.84
Rot. Bonds3

About (1-methyltriazol-4-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone

(1-methyltriazol-4-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone (PubChem CID 155975295) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is (1-methyltriazol-4-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methyltriazol-4-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
PubChem CID155975295
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name(1-methyltriazol-4-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)nn1
InChIInChI=1S/C22H21N7O/c1-28-14-20(26-27-28)22(30)29-10-6-16(7-11-29)19-3-2-17-12-18(13-24-21(17)25-19)15-4-8-23-9-5-15/h2-5,8-9,12-14,16H,6-7,10-11H2,1H3
InChIKeyUQBAOTQMKBBJLG-UHFFFAOYSA-N
XLogP2.84
TPSA89.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2-methylpyrazol-3-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155975284
(3-methylimidazol-4-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155975312
(3-fluoro-4-pyridinyl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 163345283
1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone
CID 163346995
[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 163344454
[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone
CID 163344506
2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-4-yl-1,8-naphthyridine
CID 155975409
[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 163348563
(5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrimidin-5-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155980899
[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 155974863
[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 155980893
3-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 155977261

Frequently Asked Questions

What is the IUPAC name of (1-methyltriazol-4-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-methyltriazol-4-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone (CID 155975295) is (1-methyltriazol-4-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methyltriazol-4-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methyltriazol-4-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone is Cn1cc(C(=O)N2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)nn1.
What is the InChIKey of (1-methyltriazol-4-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone?
The InChIKey is UQBAOTQMKBBJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c1-28-14-20(26-27-28)22(30)29-10-6-16(7-11-29)19-3-2-17-12-18(13-24-21(17)25-19)15-4-8-23-9-5-15/h2-5,8-9,12-14,16H,6-7,10-11H2,1H3.
What are the key properties of (1-methyltriazol-4-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone?
(1-methyltriazol-4-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone has a molecular weight of 399.46 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyltriazol-4-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 155975295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).