(2-methylpyrazol-3-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone

C23H22N6O — CID 155975284

IUPAC(2-methylpyrazol-3-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCC(c2ccc3cc(-c4ccncc4)cnc3n2)CC1
InChIInChI=1S/C23H22N6O/c1-28-21(6-11-26-28)23(30)29-12-7-17(8-13-29)20-3-2-18-14-19(15-25-22(18)27-20)16-4-9-24-10-5-16/h2-6,9-11,14-15,17H,7-8,12-13H2,1H3
InChIKeyBEDRQDSAGLJCHQ-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.45
Rot. Bonds3

About (2-methylpyrazol-3-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone

(2-methylpyrazol-3-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone (PubChem CID 155975284) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
PubChem CID155975284
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name(2-methylpyrazol-3-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCC(c2ccc3cc(-c4ccncc4)cnc3n2)CC1
InChIInChI=1S/C23H22N6O/c1-28-21(6-11-26-28)23(30)29-12-7-17(8-13-29)20-3-2-18-14-19(15-25-22(18)27-20)16-4-9-24-10-5-16/h2-6,9-11,14-15,17H,7-8,12-13H2,1H3
InChIKeyBEDRQDSAGLJCHQ-UHFFFAOYSA-N
XLogP3.45
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methylimidazol-4-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155975312
(1-methyltriazol-4-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155975295
(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-methylpyrazin-2-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95845680
2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-4-yl-1,8-naphthyridine
CID 155975409
(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]-pyrimidin-4-ylmethanone
CID 163344506
[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 163348563
3-methyl-5-[[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 163347006
[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]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 155974863

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone (CID 155975284) is (2-methylpyrazol-3-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone is Cn1nccc1C(=O)N1CCC(c2ccc3cc(-c4ccncc4)cnc3n2)CC1.
What is the InChIKey of (2-methylpyrazol-3-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone?
The InChIKey is BEDRQDSAGLJCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-28-21(6-11-26-28)23(30)29-12-7-17(8-13-29)20-3-2-18-14-19(15-25-22(18)27-20)16-4-9-24-10-5-16/h2-6,9-11,14-15,17H,7-8,12-13H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone?
(2-methylpyrazol-3-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone has a molecular weight of 398.47 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 155975284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).