4-[1-[[2-(difluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-oxo-1H-pyridazine-5-carbonitrile

C19H16F2N6O — CID 138471597

IUPAC4-[1-[[2-(difluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-oxo-1H-pyridazine-5-carbonitrile
SMILESN#Cc1c(N2CCc3c(ncn3Cc3ccccc3C(F)F)C2)cn[nH]c1=O
InChIInChI=1S/C19H16F2N6O/c20-18(21)13-4-2-1-3-12(13)9-27-11-23-15-10-26(6-5-16(15)27)17-8-24-25-19(28)14(17)7-22/h1-4,8,11,18H,5-6,9-10H2,(H,25,28)
InChIKeyPBHGPHKJJQLQPU-UHFFFAOYSA-N
MW382.37 g/mol
LogP2.39
Rot. Bonds4

About 4-[1-[[2-(difluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-oxo-1H-pyridazine-5-carbonitrile

4-[1-[[2-(difluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-oxo-1H-pyridazine-5-carbonitrile (PubChem CID 138471597) has the molecular formula C19H16F2N6O and a molecular weight of 382.37 g/mol. Its IUPAC name is 4-[1-[[2-(difluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-oxo-1H-pyridazine-5-carbonitrile.

Molecular Properties

Compound Name4-[1-[[2-(difluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-oxo-1H-pyridazine-5-carbonitrile
PubChem CID138471597
Molecular FormulaC19H16F2N6O
Molecular Weight382.37 g/mol
Exact Mass382.14
IUPAC Name4-[1-[[2-(difluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-oxo-1H-pyridazine-5-carbonitrile
SMILESN#Cc1c(N2CCc3c(ncn3Cc3ccccc3C(F)F)C2)cn[nH]c1=O
InChIInChI=1S/C19H16F2N6O/c20-18(21)13-4-2-1-3-12(13)9-27-11-23-15-10-26(6-5-16(15)27)17-8-24-25-19(28)14(17)7-22/h1-4,8,11,18H,5-6,9-10H2,(H,25,28)
InChIKeyPBHGPHKJJQLQPU-UHFFFAOYSA-N
XLogP2.39
TPSA90.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[[2-(difluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-oxo-1H-pyridazine-5-carbonitrile?
The IUPAC name of 4-[1-[[2-(difluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-oxo-1H-pyridazine-5-carbonitrile (CID 138471597) is 4-[1-[[2-(difluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-oxo-1H-pyridazine-5-carbonitrile.
What is the SMILES notation for 4-[1-[[2-(difluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-oxo-1H-pyridazine-5-carbonitrile?
The canonical SMILES for 4-[1-[[2-(difluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-oxo-1H-pyridazine-5-carbonitrile is N#Cc1c(N2CCc3c(ncn3Cc3ccccc3C(F)F)C2)cn[nH]c1=O.
What is the InChIKey of 4-[1-[[2-(difluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-oxo-1H-pyridazine-5-carbonitrile?
The InChIKey is PBHGPHKJJQLQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N6O/c20-18(21)13-4-2-1-3-12(13)9-27-11-23-15-10-26(6-5-16(15)27)17-8-24-25-19(28)14(17)7-22/h1-4,8,11,18H,5-6,9-10H2,(H,25,28).
What are the key properties of 4-[1-[[2-(difluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-oxo-1H-pyridazine-5-carbonitrile?
4-[1-[[2-(difluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-oxo-1H-pyridazine-5-carbonitrile has a molecular weight of 382.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[2-(difluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-6-oxo-1H-pyridazine-5-carbonitrile is sourced from PubChem (CID 138471597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).