morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone

C25H26F3N5O2 — CID 26135160

IUPACmorpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
SMILESO=C(c1nn(Cc2ccccn2)c2c1CN(Cc1cccc(C(F)(F)F)c1)CC2)N1CCOCC1
InChIInChI=1S/C25H26F3N5O2/c26-25(27,28)19-5-3-4-18(14-19)15-31-9-7-22-21(17-31)23(24(34)32-10-12-35-13-11-32)30-33(22)16-20-6-1-2-8-29-20/h1-6,8,14H,7,9-13,15-17H2
InChIKeyCQMDNLDYKNKPOQ-UHFFFAOYSA-N
MW485.51 g/mol
LogP3.38
Rot. Bonds5

About morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone

morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone (PubChem CID 26135160) has the molecular formula C25H26F3N5O2 and a molecular weight of 485.51 g/mol. Its IUPAC name is morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
PubChem CID26135160
Molecular FormulaC25H26F3N5O2
Molecular Weight485.51 g/mol
Exact Mass485.20
IUPAC Namemorpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
SMILESO=C(c1nn(Cc2ccccn2)c2c1CN(Cc1cccc(C(F)(F)F)c1)CC2)N1CCOCC1
InChIInChI=1S/C25H26F3N5O2/c26-25(27,28)19-5-3-4-18(14-19)15-31-9-7-22-21(17-31)23(24(34)32-10-12-35-13-11-32)30-33(22)16-20-6-1-2-8-29-20/h1-6,8,14H,7,9-13,15-17H2
InChIKeyCQMDNLDYKNKPOQ-UHFFFAOYSA-N
XLogP3.38
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
4-[1-benzyl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one
CID 26141606
[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-naphthalen-2-ylmethanone
CID 26139731
[1-benzyl-5-[(4-hydroxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone
CID 26234223
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
[1-benzyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone
CID 26226175
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
[1-benzyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone
CID 26140975
morpholin-4-yl-[1-(2-phenylethyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
CID 26139970
5-[(3-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26143228
[3-(morpholine-4-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone
CID 26227260

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone?
The IUPAC name of 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) is morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone is O=C(c1nn(Cc2ccccn2)c2c1CN(Cc1cccc(C(F)(F)F)c1)CC2)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone?
The InChIKey is CQMDNLDYKNKPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O2/c26-25(27,28)19-5-3-4-18(14-19)15-31-9-7-22-21(17-31)23(24(34)32-10-12-35-13-11-32)30-33(22)16-20-6-1-2-8-29-20/h1-6,8,14H,7,9-13,15-17H2.
What are the key properties of morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone?
morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone has a molecular weight of 485.51 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone is sourced from PubChem (CID 26135160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).