3-(2-anilino-3H-benzimidazol-5-yl)-6-chloro-N-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-8-amine

C23H20ClN7 — CID 155566735

IUPAC3-(2-anilino-3H-benzimidazol-5-yl)-6-chloro-N-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-8-amine
SMILESClc1cc(NCC2CC2)c2ncc(-c3ccc4nc(Nc5ccccc5)[nH]c4c3)n2n1
InChIInChI=1S/C23H20ClN7/c24-21-11-19(25-12-14-6-7-14)22-26-13-20(31(22)30-21)15-8-9-17-18(10-15)29-23(28-17)27-16-4-2-1-3-5-16/h1-5,8-11,13-14,25H,6-7,12H2,(H2,27,28,29)
InChIKeyGGADVSJAPKTOKZ-UHFFFAOYSA-N
MW429.92 g/mol
LogP5.49
Rot. Bonds6

About 3-(2-anilino-3H-benzimidazol-5-yl)-6-chloro-N-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-8-amine

3-(2-anilino-3H-benzimidazol-5-yl)-6-chloro-N-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-8-amine (PubChem CID 155566735) has the molecular formula C23H20ClN7 and a molecular weight of 429.92 g/mol. Its IUPAC name is 3-(2-anilino-3H-benzimidazol-5-yl)-6-chloro-N-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name3-(2-anilino-3H-benzimidazol-5-yl)-6-chloro-N-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-8-amine
PubChem CID155566735
Molecular FormulaC23H20ClN7
Molecular Weight429.92 g/mol
Exact Mass429.15
IUPAC Name3-(2-anilino-3H-benzimidazol-5-yl)-6-chloro-N-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-8-amine
SMILESClc1cc(NCC2CC2)c2ncc(-c3ccc4nc(Nc5ccccc5)[nH]c4c3)n2n1
InChIInChI=1S/C23H20ClN7/c24-21-11-19(25-12-14-6-7-14)22-26-13-20(31(22)30-21)15-8-9-17-18(10-15)29-23(28-17)27-16-4-2-1-3-5-16/h1-5,8-11,13-14,25H,6-7,12H2,(H2,27,28,29)
InChIKeyGGADVSJAPKTOKZ-UHFFFAOYSA-N
XLogP5.49
TPSA82.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.92
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2-anilino-3H-benzimidazol-5-yl)-6-chloro-N-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 3-(2-anilino-3H-benzimidazol-5-yl)-6-chloro-N-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-8-amine (CID 155566735) is 3-(2-anilino-3H-benzimidazol-5-yl)-6-chloro-N-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 3-(2-anilino-3H-benzimidazol-5-yl)-6-chloro-N-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 3-(2-anilino-3H-benzimidazol-5-yl)-6-chloro-N-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-8-amine is Clc1cc(NCC2CC2)c2ncc(-c3ccc4nc(Nc5ccccc5)[nH]c4c3)n2n1.
What is the InChIKey of 3-(2-anilino-3H-benzimidazol-5-yl)-6-chloro-N-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is GGADVSJAPKTOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN7/c24-21-11-19(25-12-14-6-7-14)22-26-13-20(31(22)30-21)15-8-9-17-18(10-15)29-23(28-17)27-16-4-2-1-3-5-16/h1-5,8-11,13-14,25H,6-7,12H2,(H2,27,28,29).
What are the key properties of 3-(2-anilino-3H-benzimidazol-5-yl)-6-chloro-N-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-8-amine?
3-(2-anilino-3H-benzimidazol-5-yl)-6-chloro-N-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 429.92 g/mol, XLogP of 5.49, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-anilino-3H-benzimidazol-5-yl)-6-chloro-N-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 155566735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).