5-chloro-4-[1-[[2-(difluoromethyl)phenyl]methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1H-pyridazin-6-one

C23H25ClF2N6O2 — CID 138484080

IUPAC5-chloro-4-[1-[[2-(difluoromethyl)phenyl]methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCc3c(c(CN4CCOCC4)nn3Cc3ccccc3C(F)F)C2)c1Cl
InChIInChI=1S/C23H25ClF2N6O2/c24-21-20(11-27-28-23(21)33)31-6-5-19-17(13-31)18(14-30-7-9-34-10-8-30)29-32(19)12-15-3-1-2-4-16(15)22(25)26/h1-4,11,22H,5-10,12-14H2,(H,28,33)
InChIKeyGYIFNMVAJSPRBC-UHFFFAOYSA-N
MW490.94 g/mol
LogP3.00
Rot. Bonds6

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

5-chloro-4-[1-[[2-(difluoromethyl)phenyl]methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1H-pyridazin-6-one (PubChem CID 138484080) has the molecular formula C23H25ClF2N6O2 and a molecular weight of 490.94 g/mol. Its IUPAC name is 5-chloro-4-[1-[[2-(difluoromethyl)phenyl]methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[1-[[2-(difluoromethyl)phenyl]methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1H-pyridazin-6-one
PubChem CID138484080
Molecular FormulaC23H25ClF2N6O2
Molecular Weight490.94 g/mol
Exact Mass490.17
IUPAC Name5-chloro-4-[1-[[2-(difluoromethyl)phenyl]methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCc3c(c(CN4CCOCC4)nn3Cc3ccccc3C(F)F)C2)c1Cl
InChIInChI=1S/C23H25ClF2N6O2/c24-21-20(11-27-28-23(21)33)31-6-5-19-17(13-31)18(14-30-7-9-34-10-8-30)29-32(19)12-15-3-1-2-4-16(15)22(25)26/h1-4,11,22H,5-10,12-14H2,(H,28,33)
InChIKeyGYIFNMVAJSPRBC-UHFFFAOYSA-N
XLogP3.00
TPSA79.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.94
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-chloro-4-[1-[[2-(difluoromethyl)phenyl]methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1H-pyridazin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[1-[[2-(difluoromethyl)phenyl]methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[1-[[2-(difluoromethyl)phenyl]methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1H-pyridazin-6-one (CID 138484080) is 5-chloro-4-[1-[[2-(difluoromethyl)phenyl]methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[1-[[2-(difluoromethyl)phenyl]methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[1-[[2-(difluoromethyl)phenyl]methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1H-pyridazin-6-one is O=c1[nH]ncc(N2CCc3c(c(CN4CCOCC4)nn3Cc3ccccc3C(F)F)C2)c1Cl.
What is the InChIKey of 5-chloro-4-[1-[[2-(difluoromethyl)phenyl]methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1H-pyridazin-6-one?
The InChIKey is GYIFNMVAJSPRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClF2N6O2/c24-21-20(11-27-28-23(21)33)31-6-5-19-17(13-31)18(14-30-7-9-34-10-8-30)29-32(19)12-15-3-1-2-4-16(15)22(25)26/h1-4,11,22H,5-10,12-14H2,(H,28,33).
What are the key properties of 5-chloro-4-[1-[[2-(difluoromethyl)phenyl]methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1H-pyridazin-6-one?
5-chloro-4-[1-[[2-(difluoromethyl)phenyl]methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1H-pyridazin-6-one has a molecular weight of 490.94 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[1-[[2-(difluoromethyl)phenyl]methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 138484080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).