5-cyclopropyl-4-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one

C21H20F3N5O — CID 138471636

IUPAC5-cyclopropyl-4-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCc3c(ncn3Cc3ccc(C(F)(F)F)cc3)C2)c1C1CC1
InChIInChI=1S/C21H20F3N5O/c22-21(23,24)15-5-1-13(2-6-15)10-29-12-25-16-11-28(8-7-17(16)29)18-9-26-27-20(30)19(18)14-3-4-14/h1-2,5-6,9,12,14H,3-4,7-8,10-11H2,(H,27,30)
InChIKeyIPPSRUNKEPUSLW-UHFFFAOYSA-N
MW415.42 g/mol
LogP3.47
Rot. Bonds4

About 5-cyclopropyl-4-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one

5-cyclopropyl-4-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one (PubChem CID 138471636) has the molecular formula C21H20F3N5O and a molecular weight of 415.42 g/mol. Its IUPAC name is 5-cyclopropyl-4-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-cyclopropyl-4-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
PubChem CID138471636
Molecular FormulaC21H20F3N5O
Molecular Weight415.42 g/mol
Exact Mass415.16
IUPAC Name5-cyclopropyl-4-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCc3c(ncn3Cc3ccc(C(F)(F)F)cc3)C2)c1C1CC1
InChIInChI=1S/C21H20F3N5O/c22-21(23,24)15-5-1-13(2-6-15)10-29-12-25-16-11-28(8-7-17(16)29)18-9-26-27-20(30)19(18)14-3-4-14/h1-2,5-6,9,12,14H,3-4,7-8,10-11H2,(H,27,30)
InChIKeyIPPSRUNKEPUSLW-UHFFFAOYSA-N
XLogP3.47
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-cyclopropyl-4-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one (CID 138471636) is 5-cyclopropyl-4-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-cyclopropyl-4-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-cyclopropyl-4-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one is O=c1[nH]ncc(N2CCc3c(ncn3Cc3ccc(C(F)(F)F)cc3)C2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-4-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one?
The InChIKey is IPPSRUNKEPUSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O/c22-21(23,24)15-5-1-13(2-6-15)10-29-12-25-16-11-28(8-7-17(16)29)18-9-26-27-20(30)19(18)14-3-4-14/h1-2,5-6,9,12,14H,3-4,7-8,10-11H2,(H,27,30).
What are the key properties of 5-cyclopropyl-4-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one?
5-cyclopropyl-4-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one has a molecular weight of 415.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 138471636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).