methyl 6-[(6-cyclopropyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]-3,4-dihydropyridine-2-carboxylate

C24H23N3O2 — CID 90378914

IUPACmethyl 6-[(6-cyclopropyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]-3,4-dihydropyridine-2-carboxylate
SMILESCOC(=O)C1=NC(Cc2c(-c3cccnc3)[nH]c3cc(C4CC4)ccc23)=CCC1
InChIInChI=1S/C24H23N3O2/c1-29-24(28)21-6-2-5-18(26-21)13-20-19-10-9-16(15-7-8-15)12-22(19)27-23(20)17-4-3-11-25-14-17/h3-5,9-12,14-15,27H,2,6-8,13H2,1H3
InChIKeyBEKPFRNRURDTIY-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.94
Rot. Bonds5

About methyl 6-[(6-cyclopropyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]-3,4-dihydropyridine-2-carboxylate

methyl 6-[(6-cyclopropyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]-3,4-dihydropyridine-2-carboxylate (PubChem CID 90378914) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is methyl 6-[(6-cyclopropyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]-3,4-dihydropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(6-cyclopropyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]-3,4-dihydropyridine-2-carboxylate
PubChem CID90378914
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Namemethyl 6-[(6-cyclopropyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]-3,4-dihydropyridine-2-carboxylate
SMILESCOC(=O)C1=NC(Cc2c(-c3cccnc3)[nH]c3cc(C4CC4)ccc23)=CCC1
InChIInChI=1S/C24H23N3O2/c1-29-24(28)21-6-2-5-18(26-21)13-20-19-10-9-16(15-7-8-15)12-22(19)27-23(20)17-4-3-11-25-14-17/h3-5,9-12,14-15,27H,2,6-8,13H2,1H3
InChIKeyBEKPFRNRURDTIY-UHFFFAOYSA-N
XLogP4.94
TPSA67.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 6-[(6-cyclopropyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]-3,4-dihydropyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(6-cyclopropyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]-3,4-dihydropyridine-2-carboxylate?
The IUPAC name of methyl 6-[(6-cyclopropyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]-3,4-dihydropyridine-2-carboxylate (CID 90378914) is methyl 6-[(6-cyclopropyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]-3,4-dihydropyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(6-cyclopropyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]-3,4-dihydropyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(6-cyclopropyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]-3,4-dihydropyridine-2-carboxylate is COC(=O)C1=NC(Cc2c(-c3cccnc3)[nH]c3cc(C4CC4)ccc23)=CCC1.
What is the InChIKey of methyl 6-[(6-cyclopropyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]-3,4-dihydropyridine-2-carboxylate?
The InChIKey is BEKPFRNRURDTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-29-24(28)21-6-2-5-18(26-21)13-20-19-10-9-16(15-7-8-15)12-22(19)27-23(20)17-4-3-11-25-14-17/h3-5,9-12,14-15,27H,2,6-8,13H2,1H3.
What are the key properties of methyl 6-[(6-cyclopropyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]-3,4-dihydropyridine-2-carboxylate?
methyl 6-[(6-cyclopropyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]-3,4-dihydropyridine-2-carboxylate has a molecular weight of 385.47 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(6-cyclopropyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]-3,4-dihydropyridine-2-carboxylate is sourced from PubChem (CID 90378914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).