5-(6-chloro-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole

C22H20ClN3 — CID 151462267

IUPAC5-(6-chloro-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(-c4ccc(Cl)nc4)cc3c2C(C)C)ccn1
InChIInChI=1S/C22H20ClN3/c1-13(2)21-18-11-15(17-5-7-20(23)25-12-17)4-6-19(18)26-22(21)16-8-9-24-14(3)10-16/h4-13,26H,1-3H3
InChIKeyPISFPBVPDOBESY-UHFFFAOYSA-N
MW361.88 g/mol
LogP6.38
Rot. Bonds3

About 5-(6-chloro-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole

5-(6-chloro-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole (PubChem CID 151462267) has the molecular formula C22H20ClN3 and a molecular weight of 361.88 g/mol. Its IUPAC name is 5-(6-chloro-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name5-(6-chloro-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
PubChem CID151462267
Molecular FormulaC22H20ClN3
Molecular Weight361.88 g/mol
Exact Mass361.13
IUPAC Name5-(6-chloro-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(-c4ccc(Cl)nc4)cc3c2C(C)C)ccn1
InChIInChI=1S/C22H20ClN3/c1-13(2)21-18-11-15(17-5-7-20(23)25-12-17)4-6-19(18)26-22(21)16-8-9-24-14(3)10-16/h4-13,26H,1-3H3
InChIKeyPISFPBVPDOBESY-UHFFFAOYSA-N
XLogP6.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.88
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-(6-chloro-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole?
The IUPAC name of 5-(6-chloro-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole (CID 151462267) is 5-(6-chloro-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole.
What is the SMILES notation for 5-(6-chloro-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole?
The canonical SMILES for 5-(6-chloro-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole is Cc1cc(-c2[nH]c3ccc(-c4ccc(Cl)nc4)cc3c2C(C)C)ccn1.
What is the InChIKey of 5-(6-chloro-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole?
The InChIKey is PISFPBVPDOBESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3/c1-13(2)21-18-11-15(17-5-7-20(23)25-12-17)4-6-19(18)26-22(21)16-8-9-24-14(3)10-16/h4-13,26H,1-3H3.
What are the key properties of 5-(6-chloro-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole?
5-(6-chloro-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole has a molecular weight of 361.88 g/mol, XLogP of 6.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole is sourced from PubChem (CID 151462267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).