tert-butyl N-[[4-[4-(3-methylpiperazin-1-yl)pyrido[3,4-d]pyridazin-1-yl]phenyl]methyl]carbamate

C24H30N6O2 — CID 68726957

IUPACtert-butyl N-[[4-[4-(3-methylpiperazin-1-yl)pyrido[3,4-d]pyridazin-1-yl]phenyl]methyl]carbamate
SMILESCC1CN(c2nnc(-c3ccc(CNC(=O)OC(C)(C)C)cc3)c3ccncc23)CCN1
InChIInChI=1S/C24H30N6O2/c1-16-15-30(12-11-26-16)22-20-14-25-10-9-19(20)21(28-29-22)18-7-5-17(6-8-18)13-27-23(31)32-24(2,3)4/h5-10,14,16,26H,11-13,15H2,1-4H3,(H,27,31)
InChIKeyYWACVCHVZOQEKC-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.51
Rot. Bonds4

About tert-butyl N-[[4-[4-(3-methylpiperazin-1-yl)pyrido[3,4-d]pyridazin-1-yl]phenyl]methyl]carbamate

tert-butyl N-[[4-[4-(3-methylpiperazin-1-yl)pyrido[3,4-d]pyridazin-1-yl]phenyl]methyl]carbamate (PubChem CID 68726957) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is tert-butyl N-[[4-[4-(3-methylpiperazin-1-yl)pyrido[3,4-d]pyridazin-1-yl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[4-(3-methylpiperazin-1-yl)pyrido[3,4-d]pyridazin-1-yl]phenyl]methyl]carbamate
PubChem CID68726957
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Nametert-butyl N-[[4-[4-(3-methylpiperazin-1-yl)pyrido[3,4-d]pyridazin-1-yl]phenyl]methyl]carbamate
SMILESCC1CN(c2nnc(-c3ccc(CNC(=O)OC(C)(C)C)cc3)c3ccncc23)CCN1
InChIInChI=1S/C24H30N6O2/c1-16-15-30(12-11-26-16)22-20-14-25-10-9-19(20)21(28-29-22)18-7-5-17(6-8-18)13-27-23(31)32-24(2,3)4/h5-10,14,16,26H,11-13,15H2,1-4H3,(H,27,31)
InChIKeyYWACVCHVZOQEKC-UHFFFAOYSA-N
XLogP3.51
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[[4-[4-(3-methylpiperazin-1-yl)pyrido[3,4-d]pyridazin-1-yl]phenyl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[4-[4-[4-(4,4-difluorocyclohexanecarbonyl)-3-methylpiperazin-1-yl]pyrido[3,4-d]pyridazin-1-yl]phenyl]carbamate
CID 70369178
tert-butyl N-[[4-(8-bromoisoquinolin-6-yl)phenyl]methyl]carbamate
CID 67402228
[(2S)-2-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl]-phenylmethanone
CID 25195455
tert-butyl N-[[4-[(piperazine-1-carbonylamino)methyl]phenyl]methyl]carbamate
CID 22285081
[4-[4-[(3S)-3-methyl-4-(piperidine-1-carbonyl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-yl]phenyl] N-methylcarbamate
CID 25226573
[(2S)-4-[1-[4-(hydroxymethyl)phenyl]pyrido[3,4-d]pyridazin-4-yl]-2-methylpiperazin-1-yl]-piperidin-1-ylmethanone;[4-[4-[(3S)-3-methyl-4-(piperidine-1-carbonyl)piperazin-1-yl]pyrido[3,4-d]pyridazin-1-yl]phenyl]methyl carbamate;2,2,2-trichloroacetyl isocyanate
CID 157448282
[(3R)-4-[1-[4-(hydroxymethyl)phenyl]pyrido[3,4-d]pyridazin-4-yl]-3-methylpiperazin-1-yl]-phenylmethanone
CID 25224529
tert-butyl N-[2-[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 142744156
tert-butyl N-[[4-(3-methoxy-2-pyridinyl)phenyl]methyl]carbamate
CID 171625964
tert-butyl N-[[4-(3-methoxy-4-oxophthalazin-1-yl)phenyl]methyl]carbamate
CID 175824331
tert-butyl N-[[4-(2-methylmorpholin-4-yl)phenyl]methyl]carbamate
CID 139523201
tert-butyl N-[[4-[3-[(4-fluorophenyl)methyl]-4-oxophthalazin-1-yl]phenyl]methyl]carbamate
CID 157040236

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[4-(3-methylpiperazin-1-yl)pyrido[3,4-d]pyridazin-1-yl]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[4-(3-methylpiperazin-1-yl)pyrido[3,4-d]pyridazin-1-yl]phenyl]methyl]carbamate (CID 68726957) is tert-butyl N-[[4-[4-(3-methylpiperazin-1-yl)pyrido[3,4-d]pyridazin-1-yl]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[4-(3-methylpiperazin-1-yl)pyrido[3,4-d]pyridazin-1-yl]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[4-(3-methylpiperazin-1-yl)pyrido[3,4-d]pyridazin-1-yl]phenyl]methyl]carbamate is CC1CN(c2nnc(-c3ccc(CNC(=O)OC(C)(C)C)cc3)c3ccncc23)CCN1.
What is the InChIKey of tert-butyl N-[[4-[4-(3-methylpiperazin-1-yl)pyrido[3,4-d]pyridazin-1-yl]phenyl]methyl]carbamate?
The InChIKey is YWACVCHVZOQEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-16-15-30(12-11-26-16)22-20-14-25-10-9-19(20)21(28-29-22)18-7-5-17(6-8-18)13-27-23(31)32-24(2,3)4/h5-10,14,16,26H,11-13,15H2,1-4H3,(H,27,31).
What are the key properties of tert-butyl N-[[4-[4-(3-methylpiperazin-1-yl)pyrido[3,4-d]pyridazin-1-yl]phenyl]methyl]carbamate?
tert-butyl N-[[4-[4-(3-methylpiperazin-1-yl)pyrido[3,4-d]pyridazin-1-yl]phenyl]methyl]carbamate has a molecular weight of 434.54 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[4-(3-methylpiperazin-1-yl)pyrido[3,4-d]pyridazin-1-yl]phenyl]methyl]carbamate is sourced from PubChem (CID 68726957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).