1-N-(4-chlorophenyl)-4-N-(pyridin-4-ylmethyl)phthalazine-1,4-diamine

C20H16ClN5 — CID 6326421

IUPAC1-N-(4-chlorophenyl)-4-N-(pyridin-4-ylmethyl)phthalazine-1,4-diamine
SMILESClc1ccc(Nc2nnc(NCc3ccncc3)c3ccccc23)cc1
InChIInChI=1S/C20H16ClN5/c21-15-5-7-16(8-6-15)24-20-18-4-2-1-3-17(18)19(25-26-20)23-13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)(H,24,26)
InChIKeyHXPCKJPCDLSTDD-UHFFFAOYSA-N
MW361.84 g/mol
LogP5.03
Rot. Bonds5

About 1-N-(4-chlorophenyl)-4-N-(pyridin-4-ylmethyl)phthalazine-1,4-diamine

1-N-(4-chlorophenyl)-4-N-(pyridin-4-ylmethyl)phthalazine-1,4-diamine (PubChem CID 6326421) has the molecular formula C20H16ClN5 and a molecular weight of 361.84 g/mol. Its IUPAC name is 1-N-(4-chlorophenyl)-4-N-(pyridin-4-ylmethyl)phthalazine-1,4-diamine.

Molecular Properties

Compound Name1-N-(4-chlorophenyl)-4-N-(pyridin-4-ylmethyl)phthalazine-1,4-diamine
PubChem CID6326421
Molecular FormulaC20H16ClN5
Molecular Weight361.84 g/mol
Exact Mass361.11
IUPAC Name1-N-(4-chlorophenyl)-4-N-(pyridin-4-ylmethyl)phthalazine-1,4-diamine
SMILESClc1ccc(Nc2nnc(NCc3ccncc3)c3ccccc23)cc1
InChIInChI=1S/C20H16ClN5/c21-15-5-7-16(8-6-15)24-20-18-4-2-1-3-17(18)19(25-26-20)23-13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)(H,24,26)
InChIKeyHXPCKJPCDLSTDD-UHFFFAOYSA-N
XLogP5.03
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.84
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Vatalanib
CID 151194
6,7-dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine
CID 117072548
Vatalanib Succinate
CID 151193
Vatalanib dihydrochloride
CID 22386467
N-(4-chlorophenyl)-4-(pyrimidin-4-ylmethyl)phthalazin-1-amine
CID 6326418
N-(4-chlorophenyl)-4-[(2-methylpyridin-4-yl)methyl]phthalazin-1-amine
CID 6326419
N-(4-chlorophenyl)-4-[1-(pyridin-4-yl)ethyl]phthalazin-1-amine
CID 6326422
1-N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazine-1,7-diamine
CID 6419378
N-(4-chlorophenyl)-1-(pyridin-4-ylmethyl)pyrido[3,4-d]pyridazin-4-amine
CID 6419381
N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)pyrido[3,4-d]pyridazin-1-amine
CID 6419382
N-(4-chlorophenyl)-8-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-amine
CID 6419383
N-(4-chlorophenyl)-4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-amine
CID 6419385

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chlorophenyl)-4-N-(pyridin-4-ylmethyl)phthalazine-1,4-diamine?
The IUPAC name of 1-N-(4-chlorophenyl)-4-N-(pyridin-4-ylmethyl)phthalazine-1,4-diamine (CID 6326421) is 1-N-(4-chlorophenyl)-4-N-(pyridin-4-ylmethyl)phthalazine-1,4-diamine.
What is the SMILES notation for 1-N-(4-chlorophenyl)-4-N-(pyridin-4-ylmethyl)phthalazine-1,4-diamine?
The canonical SMILES for 1-N-(4-chlorophenyl)-4-N-(pyridin-4-ylmethyl)phthalazine-1,4-diamine is Clc1ccc(Nc2nnc(NCc3ccncc3)c3ccccc23)cc1.
What is the InChIKey of 1-N-(4-chlorophenyl)-4-N-(pyridin-4-ylmethyl)phthalazine-1,4-diamine?
The InChIKey is HXPCKJPCDLSTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5/c21-15-5-7-16(8-6-15)24-20-18-4-2-1-3-17(18)19(25-26-20)23-13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)(H,24,26).
What are the key properties of 1-N-(4-chlorophenyl)-4-N-(pyridin-4-ylmethyl)phthalazine-1,4-diamine?
1-N-(4-chlorophenyl)-4-N-(pyridin-4-ylmethyl)phthalazine-1,4-diamine has a molecular weight of 361.84 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chlorophenyl)-4-N-(pyridin-4-ylmethyl)phthalazine-1,4-diamine is sourced from PubChem (CID 6326421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).