(1E)-1-(7-chloro-1H-indol-4-yl)-1-[(4Z)-1-(5-cyclopropyl-3-methyl-2-pyridinyl)-4-[(2,6-diethylphenyl)methylidene]piperidin-3-ylidene]-N-methylmethanamine

C35H39ClN4 — CID 167255533

IUPAC(1E)-1-(7-chloro-1H-indol-4-yl)-1-[(4Z)-1-(5-cyclopropyl-3-methyl-2-pyridinyl)-4-[(2,6-diethylphenyl)methylidene]piperidin-3-ylidene]-N-methylmethanamine
SMILESCCc1cccc(CC)c1/C=C1\CCN(c2ncc(C3CC3)cc2C)C\C1=C(\NC)c1ccc(Cl)c2[nH]ccc12
InChIInChI=1S/C35H39ClN4/c1-5-23-8-7-9-24(6-2)30(23)19-26-15-17-40(35-22(3)18-27(20-39-35)25-10-11-25)21-31(26)33(37-4)28-12-13-32(36)34-29(28)14-16-38-34/h7-9,12-14,16,18-20,25,37-38H,5-6,10-11,15,17,21H2,1-4H3/b26-19+,33-31-
InChIKeyGHXNVMJGXSYYQS-CGVDDHSRSA-N
MW551.18 g/mol
LogP8.45
Rot. Bonds7

About (1E)-1-(7-chloro-1H-indol-4-yl)-1-[(4Z)-1-(5-cyclopropyl-3-methyl-2-pyridinyl)-4-[(2,6-diethylphenyl)methylidene]piperidin-3-ylidene]-N-methylmethanamine

(1E)-1-(7-chloro-1H-indol-4-yl)-1-[(4Z)-1-(5-cyclopropyl-3-methyl-2-pyridinyl)-4-[(2,6-diethylphenyl)methylidene]piperidin-3-ylidene]-N-methylmethanamine (PubChem CID 167255533) has the molecular formula C35H39ClN4 and a molecular weight of 551.18 g/mol. Its IUPAC name is (1E)-1-(7-chloro-1H-indol-4-yl)-1-[(4Z)-1-(5-cyclopropyl-3-methyl-2-pyridinyl)-4-[(2,6-diethylphenyl)methylidene]piperidin-3-ylidene]-N-methylmethanamine.

Molecular Properties

Compound Name(1E)-1-(7-chloro-1H-indol-4-yl)-1-[(4Z)-1-(5-cyclopropyl-3-methyl-2-pyridinyl)-4-[(2,6-diethylphenyl)methylidene]piperidin-3-ylidene]-N-methylmethanamine
PubChem CID167255533
Molecular FormulaC35H39ClN4
Molecular Weight551.18 g/mol
Exact Mass550.29
IUPAC Name(1E)-1-(7-chloro-1H-indol-4-yl)-1-[(4Z)-1-(5-cyclopropyl-3-methyl-2-pyridinyl)-4-[(2,6-diethylphenyl)methylidene]piperidin-3-ylidene]-N-methylmethanamine
SMILESCCc1cccc(CC)c1/C=C1\CCN(c2ncc(C3CC3)cc2C)C\C1=C(\NC)c1ccc(Cl)c2[nH]ccc12
InChIInChI=1S/C35H39ClN4/c1-5-23-8-7-9-24(6-2)30(23)19-26-15-17-40(35-22(3)18-27(20-39-35)25-10-11-25)21-31(26)33(37-4)28-12-13-32(36)34-29(28)14-16-38-34/h7-9,12-14,16,18-20,25,37-38H,5-6,10-11,15,17,21H2,1-4H3/b26-19+,33-31-
InChIKeyGHXNVMJGXSYYQS-CGVDDHSRSA-N
XLogP8.45
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.18
LogP ≤ 58.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1E)-1-(7-chloro-1H-indol-4-yl)-1-[(4Z)-1-(5-cyclopropyl-3-methyl-2-pyridinyl)-4-[(2,6-diethylphenyl)methylidene]piperidin-3-ylidene]-N-methylmethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-(7-chloro-1H-indol-4-yl)-1-[(4Z)-1-(5-cyclopropyl-3-methyl-2-pyridinyl)-4-[(2,6-diethylphenyl)methylidene]piperidin-3-ylidene]-N-methylmethanamine?
The IUPAC name of (1E)-1-(7-chloro-1H-indol-4-yl)-1-[(4Z)-1-(5-cyclopropyl-3-methyl-2-pyridinyl)-4-[(2,6-diethylphenyl)methylidene]piperidin-3-ylidene]-N-methylmethanamine (CID 167255533) is (1E)-1-(7-chloro-1H-indol-4-yl)-1-[(4Z)-1-(5-cyclopropyl-3-methyl-2-pyridinyl)-4-[(2,6-diethylphenyl)methylidene]piperidin-3-ylidene]-N-methylmethanamine.
What is the SMILES notation for (1E)-1-(7-chloro-1H-indol-4-yl)-1-[(4Z)-1-(5-cyclopropyl-3-methyl-2-pyridinyl)-4-[(2,6-diethylphenyl)methylidene]piperidin-3-ylidene]-N-methylmethanamine?
The canonical SMILES for (1E)-1-(7-chloro-1H-indol-4-yl)-1-[(4Z)-1-(5-cyclopropyl-3-methyl-2-pyridinyl)-4-[(2,6-diethylphenyl)methylidene]piperidin-3-ylidene]-N-methylmethanamine is CCc1cccc(CC)c1/C=C1\CCN(c2ncc(C3CC3)cc2C)C\C1=C(\NC)c1ccc(Cl)c2[nH]ccc12.
What is the InChIKey of (1E)-1-(7-chloro-1H-indol-4-yl)-1-[(4Z)-1-(5-cyclopropyl-3-methyl-2-pyridinyl)-4-[(2,6-diethylphenyl)methylidene]piperidin-3-ylidene]-N-methylmethanamine?
The InChIKey is GHXNVMJGXSYYQS-CGVDDHSRSA-N. The full InChI is InChI=1S/C35H39ClN4/c1-5-23-8-7-9-24(6-2)30(23)19-26-15-17-40(35-22(3)18-27(20-39-35)25-10-11-25)21-31(26)33(37-4)28-12-13-32(36)34-29(28)14-16-38-34/h7-9,12-14,16,18-20,25,37-38H,5-6,10-11,15,17,21H2,1-4H3/b26-19+,33-31-.
What are the key properties of (1E)-1-(7-chloro-1H-indol-4-yl)-1-[(4Z)-1-(5-cyclopropyl-3-methyl-2-pyridinyl)-4-[(2,6-diethylphenyl)methylidene]piperidin-3-ylidene]-N-methylmethanamine?
(1E)-1-(7-chloro-1H-indol-4-yl)-1-[(4Z)-1-(5-cyclopropyl-3-methyl-2-pyridinyl)-4-[(2,6-diethylphenyl)methylidene]piperidin-3-ylidene]-N-methylmethanamine has a molecular weight of 551.18 g/mol, XLogP of 8.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(7-chloro-1H-indol-4-yl)-1-[(4Z)-1-(5-cyclopropyl-3-methyl-2-pyridinyl)-4-[(2,6-diethylphenyl)methylidene]piperidin-3-ylidene]-N-methylmethanamine is sourced from PubChem (CID 167255533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).