1-(2-chloro-3-pyridinyl)-2-methyl-N-pyridazin-3-ylindol-6-amine

C18H14ClN5 — CID 155554452

IUPAC1-(2-chloro-3-pyridinyl)-2-methyl-N-pyridazin-3-ylindol-6-amine
SMILESCc1cc2ccc(Nc3cccnn3)cc2n1-c1cccnc1Cl
InChIInChI=1S/C18H14ClN5/c1-12-10-13-6-7-14(22-17-5-3-9-21-23-17)11-16(13)24(12)15-4-2-8-20-18(15)19/h2-11H,1H3,(H,22,23)
InChIKeyBMVRTXLBNWGHKD-UHFFFAOYSA-N
MW335.80 g/mol
LogP4.52
Rot. Bonds3

About 1-(2-chloro-3-pyridinyl)-2-methyl-N-pyridazin-3-ylindol-6-amine

1-(2-chloro-3-pyridinyl)-2-methyl-N-pyridazin-3-ylindol-6-amine (PubChem CID 155554452) has the molecular formula C18H14ClN5 and a molecular weight of 335.80 g/mol. Its IUPAC name is 1-(2-chloro-3-pyridinyl)-2-methyl-N-pyridazin-3-ylindol-6-amine.

Molecular Properties

Compound Name1-(2-chloro-3-pyridinyl)-2-methyl-N-pyridazin-3-ylindol-6-amine
PubChem CID155554452
Molecular FormulaC18H14ClN5
Molecular Weight335.80 g/mol
Exact Mass335.09
IUPAC Name1-(2-chloro-3-pyridinyl)-2-methyl-N-pyridazin-3-ylindol-6-amine
SMILESCc1cc2ccc(Nc3cccnn3)cc2n1-c1cccnc1Cl
InChIInChI=1S/C18H14ClN5/c1-12-10-13-6-7-14(22-17-5-3-9-21-23-17)11-16(13)24(12)15-4-2-8-20-18(15)19/h2-11H,1H3,(H,22,23)
InChIKeyBMVRTXLBNWGHKD-UHFFFAOYSA-N
XLogP4.52
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-pyridinyl)-2-methyl-N-pyridazin-3-ylindol-6-amine?
The IUPAC name of 1-(2-chloro-3-pyridinyl)-2-methyl-N-pyridazin-3-ylindol-6-amine (CID 155554452) is 1-(2-chloro-3-pyridinyl)-2-methyl-N-pyridazin-3-ylindol-6-amine.
What is the SMILES notation for 1-(2-chloro-3-pyridinyl)-2-methyl-N-pyridazin-3-ylindol-6-amine?
The canonical SMILES for 1-(2-chloro-3-pyridinyl)-2-methyl-N-pyridazin-3-ylindol-6-amine is Cc1cc2ccc(Nc3cccnn3)cc2n1-c1cccnc1Cl.
What is the InChIKey of 1-(2-chloro-3-pyridinyl)-2-methyl-N-pyridazin-3-ylindol-6-amine?
The InChIKey is BMVRTXLBNWGHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5/c1-12-10-13-6-7-14(22-17-5-3-9-21-23-17)11-16(13)24(12)15-4-2-8-20-18(15)19/h2-11H,1H3,(H,22,23).
What are the key properties of 1-(2-chloro-3-pyridinyl)-2-methyl-N-pyridazin-3-ylindol-6-amine?
1-(2-chloro-3-pyridinyl)-2-methyl-N-pyridazin-3-ylindol-6-amine has a molecular weight of 335.80 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-pyridinyl)-2-methyl-N-pyridazin-3-ylindol-6-amine is sourced from PubChem (CID 155554452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).