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

C28H27N5O3 — CID 26139731

IUPAC[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)N1CCc2c(c(C(=O)N3CCOCC3)nn2Cc2ccccn2)C1
InChIInChI=1S/C28H27N5O3/c34-27(22-9-8-20-5-1-2-6-21(20)17-22)32-12-10-25-24(19-32)26(28(35)31-13-15-36-16-14-31)30-33(25)18-23-7-3-4-11-29-23/h1-9,11,17H,10,12-16,18-19H2
InChIKeyYEWXMSWRMMDPPR-UHFFFAOYSA-N
MW481.56 g/mol
LogP3.15
Rot. Bonds4

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

[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-naphthalen-2-ylmethanone (PubChem CID 26139731) has the molecular formula C28H27N5O3 and a molecular weight of 481.56 g/mol. Its IUPAC name is [3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-naphthalen-2-ylmethanone
PubChem CID26139731
Molecular FormulaC28H27N5O3
Molecular Weight481.56 g/mol
Exact Mass481.21
IUPAC Name[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)N1CCc2c(c(C(=O)N3CCOCC3)nn2Cc2ccccn2)C1
InChIInChI=1S/C28H27N5O3/c34-27(22-9-8-20-5-1-2-6-21(20)17-22)32-12-10-25-24(19-32)26(28(35)31-13-15-36-16-14-31)30-33(25)18-23-7-3-4-11-29-23/h1-9,11,17H,10,12-16,18-19H2
InChIKeyYEWXMSWRMMDPPR-UHFFFAOYSA-N
XLogP3.15
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-naphthalen-2-ylmethanone with MolForge

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Related Compounds

1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylpropan-1-one
CID 45159384
2-(2-fluorophenyl)-1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 26139219
3-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2,3-dihydroinden-1-one
CID 45162939
morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
CID 26147078
morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
CID 26135160
1-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]but-3-en-1-one
CID 26134262
[3-(morpholine-4-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone
CID 26227260
N-[(4-methoxyphenyl)methyl]-5-(pyridine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26215805
ethyl 1-(pyridin-2-ylmethyl)-5-(thiophene-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26142273
ethyl 5-(3-ethyl-1-methylpyrazole-5-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26220418
2,3-dihydro-1,4-benzodioxin-6-yl-[1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 26233528
[1-benzyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone
CID 26226175

Frequently Asked Questions

What is the IUPAC name of [3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-naphthalen-2-ylmethanone (CID 26139731) is [3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-naphthalen-2-ylmethanone is O=C(c1ccc2ccccc2c1)N1CCc2c(c(C(=O)N3CCOCC3)nn2Cc2ccccn2)C1.
What is the InChIKey of [3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-naphthalen-2-ylmethanone?
The InChIKey is YEWXMSWRMMDPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3/c34-27(22-9-8-20-5-1-2-6-21(20)17-22)32-12-10-25-24(19-32)26(28(35)31-13-15-36-16-14-31)30-33(25)18-23-7-3-4-11-29-23/h1-9,11,17H,10,12-16,18-19H2.
What are the key properties of [3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-naphthalen-2-ylmethanone?
[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-naphthalen-2-ylmethanone has a molecular weight of 481.56 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 26139731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).