N-(3-amino-2,2-difluoropropyl)-N-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate

C19H19F2N6O3- — CID 152765423

IUPACN-(3-amino-2,2-difluoropropyl)-N-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate
SMILESCn1cc(-n2ccc(=O)c(Cc3cccc(N(CC(F)(F)CN)C(=O)[O-])c3)n2)cn1
InChIInChI=1S/C19H20F2N6O3/c1-25-10-15(9-23-25)27-6-5-17(28)16(24-27)8-13-3-2-4-14(7-13)26(18(29)30)12-19(20,21)11-22/h2-7,9-10H,8,11-12,22H2,1H3,(H,29,30)/p-1
InChIKeyMMUODTCACDVSRR-UHFFFAOYSA-M
MW417.40 g/mol
LogP0.30
Rot. Bonds7

About N-(3-amino-2,2-difluoropropyl)-N-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate

N-(3-amino-2,2-difluoropropyl)-N-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate (PubChem CID 152765423) has the molecular formula C19H19F2N6O3- and a molecular weight of 417.40 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-N-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-N-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate
PubChem CID152765423
Molecular FormulaC19H19F2N6O3-
Molecular Weight417.40 g/mol
Exact Mass417.15
IUPAC NameN-(3-amino-2,2-difluoropropyl)-N-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate
SMILESCn1cc(-n2ccc(=O)c(Cc3cccc(N(CC(F)(F)CN)C(=O)[O-])c3)n2)cn1
InChIInChI=1S/C19H20F2N6O3/c1-25-10-15(9-23-25)27-6-5-17(28)16(24-27)8-13-3-2-4-14(7-13)26(18(29)30)12-19(20,21)11-22/h2-7,9-10H,8,11-12,22H2,1H3,(H,29,30)/p-1
InChIKeyMMUODTCACDVSRR-UHFFFAOYSA-M
XLogP0.30
TPSA122.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.40
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(3-amino-2,2-difluoropropyl)-N-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-N-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-N-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate (CID 152765423) is N-(3-amino-2,2-difluoropropyl)-N-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-N-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-N-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate is Cn1cc(-n2ccc(=O)c(Cc3cccc(N(CC(F)(F)CN)C(=O)[O-])c3)n2)cn1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-N-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate?
The InChIKey is MMUODTCACDVSRR-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H20F2N6O3/c1-25-10-15(9-23-25)27-6-5-17(28)16(24-27)8-13-3-2-4-14(7-13)26(18(29)30)12-19(20,21)11-22/h2-7,9-10H,8,11-12,22H2,1H3,(H,29,30)/p-1.
What are the key properties of N-(3-amino-2,2-difluoropropyl)-N-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate?
N-(3-amino-2,2-difluoropropyl)-N-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate has a molecular weight of 417.40 g/mol, XLogP of 0.30, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-N-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate is sourced from PubChem (CID 152765423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).