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

C27H27N5O4 — CID 45162939

IUPAC3-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2,3-dihydroinden-1-one
SMILESO=C1CC(C(=O)N2CCc3c(c(C(=O)N4CCOCC4)nn3Cc3ccccn3)C2)c2ccccc21
InChIInChI=1S/C27H27N5O4/c33-24-15-21(19-6-1-2-7-20(19)24)26(34)31-10-8-23-22(17-31)25(27(35)30-11-13-36-14-12-30)29-32(23)16-18-5-3-4-9-28-18/h1-7,9,21H,8,10-17H2
InChIKeyGUYJJTHTRZSENJ-UHFFFAOYSA-N
MW485.54 g/mol
LogP2.05
Rot. Bonds4

About 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

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 (PubChem CID 45162939) has the molecular formula C27H27N5O4 and a molecular weight of 485.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2,3-dihydroinden-1-one
PubChem CID45162939
Molecular FormulaC27H27N5O4
Molecular Weight485.54 g/mol
Exact Mass485.21
IUPAC Name3-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2,3-dihydroinden-1-one
SMILESO=C1CC(C(=O)N2CCc3c(c(C(=O)N4CCOCC4)nn3Cc3ccccn3)C2)c2ccccc21
InChIInChI=1S/C27H27N5O4/c33-24-15-21(19-6-1-2-7-20(19)24)26(34)31-10-8-23-22(17-31)25(27(35)30-11-13-36-14-12-30)29-32(23)16-18-5-3-4-9-28-18/h1-7,9,21H,8,10-17H2
InChIKeyGUYJJTHTRZSENJ-UHFFFAOYSA-N
XLogP2.05
TPSA97.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-naphthalen-2-ylmethanone
CID 26139731
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
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
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
[3-(morpholine-4-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone
CID 26227260
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
[1-benzyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone
CID 26226175
ethyl 5-[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26231061
1-[1-benzyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 26221338
4-[3-(morpholine-4-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 45160636
[1-benzyl-5-[(4-hydroxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone
CID 26234223

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1CC(C(=O)N2CCc3c(c(C(=O)N4CCOCC4)nn3Cc3ccccn3)C2)c2ccccc21.
What is the InChIKey of 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?
The InChIKey is GUYJJTHTRZSENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O4/c33-24-15-21(19-6-1-2-7-20(19)24)26(34)31-10-8-23-22(17-31)25(27(35)30-11-13-36-14-12-30)29-32(23)16-18-5-3-4-9-28-18/h1-7,9,21H,8,10-17H2.
What are the key properties of 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?
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 has a molecular weight of 485.54 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 45162939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).