[5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone

C23H26N4O — CID 154667392

IUPAC[5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone
SMILESCn1cc2c(n1)CCN(c1cccc3cc(C(=O)N4CCCCC4)ccc13)C2
InChIInChI=1S/C23H26N4O/c1-25-15-19-16-27(13-10-21(19)24-25)22-7-5-6-17-14-18(8-9-20(17)22)23(28)26-11-3-2-4-12-26/h5-9,14-15H,2-4,10-13,16H2,1H3
InChIKeyCCZCUPQGUVTHLQ-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.76
Rot. Bonds2

About [5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone

[5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone (PubChem CID 154667392) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is [5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone
PubChem CID154667392
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name[5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone
SMILESCn1cc2c(n1)CCN(c1cccc3cc(C(=O)N4CCCCC4)ccc13)C2
InChIInChI=1S/C23H26N4O/c1-25-15-19-16-27(13-10-21(19)24-25)22-7-5-6-17-14-18(8-9-20(17)22)23(28)26-11-3-2-4-12-26/h5-9,14-15H,2-4,10-13,16H2,1H3
InChIKeyCCZCUPQGUVTHLQ-UHFFFAOYSA-N
XLogP3.76
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone (CID 154667392) is [5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone is Cn1cc2c(n1)CCN(c1cccc3cc(C(=O)N4CCCCC4)ccc13)C2.
What is the InChIKey of [5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone?
The InChIKey is CCZCUPQGUVTHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-25-15-19-16-27(13-10-21(19)24-25)22-7-5-6-17-14-18(8-9-20(17)22)23(28)26-11-3-2-4-12-26/h5-9,14-15H,2-4,10-13,16H2,1H3.
What are the key properties of [5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone?
[5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone has a molecular weight of 374.49 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 154667392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).