6,7-dichloro-N-cyclopentyl-4-(2-piperazin-1-yl-4-pyridinyl)phthalazin-1-amine

C22H24Cl2N6 — CID 122446737

IUPAC6,7-dichloro-N-cyclopentyl-4-(2-piperazin-1-yl-4-pyridinyl)phthalazin-1-amine
SMILESClc1cc2c(NC3CCCC3)nnc(-c3ccnc(N4CCNCC4)c3)c2cc1Cl
InChIInChI=1S/C22H24Cl2N6/c23-18-12-16-17(13-19(18)24)22(27-15-3-1-2-4-15)29-28-21(16)14-5-6-26-20(11-14)30-9-7-25-8-10-30/h5-6,11-13,15,25H,1-4,7-10H2,(H,27,29)
InChIKeyJFWCSAHGMOYTEW-UHFFFAOYSA-N
MW443.38 g/mol
LogP4.76
Rot. Bonds4

About 6,7-dichloro-N-cyclopentyl-4-(2-piperazin-1-yl-4-pyridinyl)phthalazin-1-amine

6,7-dichloro-N-cyclopentyl-4-(2-piperazin-1-yl-4-pyridinyl)phthalazin-1-amine (PubChem CID 122446737) has the molecular formula C22H24Cl2N6 and a molecular weight of 443.38 g/mol. Its IUPAC name is 6,7-dichloro-N-cyclopentyl-4-(2-piperazin-1-yl-4-pyridinyl)phthalazin-1-amine.

Molecular Properties

Compound Name6,7-dichloro-N-cyclopentyl-4-(2-piperazin-1-yl-4-pyridinyl)phthalazin-1-amine
PubChem CID122446737
Molecular FormulaC22H24Cl2N6
Molecular Weight443.38 g/mol
Exact Mass442.14
IUPAC Name6,7-dichloro-N-cyclopentyl-4-(2-piperazin-1-yl-4-pyridinyl)phthalazin-1-amine
SMILESClc1cc2c(NC3CCCC3)nnc(-c3ccnc(N4CCNCC4)c3)c2cc1Cl
InChIInChI=1S/C22H24Cl2N6/c23-18-12-16-17(13-19(18)24)22(27-15-3-1-2-4-15)29-28-21(16)14-5-6-26-20(11-14)30-9-7-25-8-10-30/h5-6,11-13,15,25H,1-4,7-10H2,(H,27,29)
InChIKeyJFWCSAHGMOYTEW-UHFFFAOYSA-N
XLogP4.76
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.38
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-N-cyclopentyl-4-(2-piperazin-1-yl-4-pyridinyl)phthalazin-1-amine?
The IUPAC name of 6,7-dichloro-N-cyclopentyl-4-(2-piperazin-1-yl-4-pyridinyl)phthalazin-1-amine (CID 122446737) is 6,7-dichloro-N-cyclopentyl-4-(2-piperazin-1-yl-4-pyridinyl)phthalazin-1-amine.
What is the SMILES notation for 6,7-dichloro-N-cyclopentyl-4-(2-piperazin-1-yl-4-pyridinyl)phthalazin-1-amine?
The canonical SMILES for 6,7-dichloro-N-cyclopentyl-4-(2-piperazin-1-yl-4-pyridinyl)phthalazin-1-amine is Clc1cc2c(NC3CCCC3)nnc(-c3ccnc(N4CCNCC4)c3)c2cc1Cl.
What is the InChIKey of 6,7-dichloro-N-cyclopentyl-4-(2-piperazin-1-yl-4-pyridinyl)phthalazin-1-amine?
The InChIKey is JFWCSAHGMOYTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N6/c23-18-12-16-17(13-19(18)24)22(27-15-3-1-2-4-15)29-28-21(16)14-5-6-26-20(11-14)30-9-7-25-8-10-30/h5-6,11-13,15,25H,1-4,7-10H2,(H,27,29).
What are the key properties of 6,7-dichloro-N-cyclopentyl-4-(2-piperazin-1-yl-4-pyridinyl)phthalazin-1-amine?
6,7-dichloro-N-cyclopentyl-4-(2-piperazin-1-yl-4-pyridinyl)phthalazin-1-amine has a molecular weight of 443.38 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-N-cyclopentyl-4-(2-piperazin-1-yl-4-pyridinyl)phthalazin-1-amine is sourced from PubChem (CID 122446737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).