7-(dibenzylamino)-2-[2-methoxy-4-(1-methyltriazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C33H31N7O2 — CID 146634515

IUPAC7-(dibenzylamino)-2-[2-methoxy-4-(1-methyltriazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3ccc(-c4cn(C)nn4)cc3OC)cc12
InChIInChI=1S/C33H31N7O2/c1-34-33(41)27-18-35-32(40(19-22-10-6-4-7-11-22)20-23-12-8-5-9-13-23)31-26(27)17-28(36-31)25-15-14-24(16-30(25)42-3)29-21-39(2)38-37-29/h4-18,21,36H,19-20H2,1-3H3,(H,34,41)
InChIKeyIWOWODJREBPCKW-UHFFFAOYSA-N
MW557.66 g/mol
LogP5.60
Rot. Bonds9

About 7-(dibenzylamino)-2-[2-methoxy-4-(1-methyltriazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

7-(dibenzylamino)-2-[2-methoxy-4-(1-methyltriazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146634515) has the molecular formula C33H31N7O2 and a molecular weight of 557.66 g/mol. Its IUPAC name is 7-(dibenzylamino)-2-[2-methoxy-4-(1-methyltriazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name7-(dibenzylamino)-2-[2-methoxy-4-(1-methyltriazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID146634515
Molecular FormulaC33H31N7O2
Molecular Weight557.66 g/mol
Exact Mass557.25
IUPAC Name7-(dibenzylamino)-2-[2-methoxy-4-(1-methyltriazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3ccc(-c4cn(C)nn4)cc3OC)cc12
InChIInChI=1S/C33H31N7O2/c1-34-33(41)27-18-35-32(40(19-22-10-6-4-7-11-22)20-23-12-8-5-9-13-23)31-26(27)17-28(36-31)25-15-14-24(16-30(25)42-3)29-21-39(2)38-37-29/h4-18,21,36H,19-20H2,1-3H3,(H,34,41)
InChIKeyIWOWODJREBPCKW-UHFFFAOYSA-N
XLogP5.60
TPSA100.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.66
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(dibenzylamino)-2-[2-methoxy-4-(1-methyltriazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 7-(dibenzylamino)-2-[2-methoxy-4-(1-methyltriazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146634515) is 7-(dibenzylamino)-2-[2-methoxy-4-(1-methyltriazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 7-(dibenzylamino)-2-[2-methoxy-4-(1-methyltriazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 7-(dibenzylamino)-2-[2-methoxy-4-(1-methyltriazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3ccc(-c4cn(C)nn4)cc3OC)cc12.
What is the InChIKey of 7-(dibenzylamino)-2-[2-methoxy-4-(1-methyltriazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is IWOWODJREBPCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N7O2/c1-34-33(41)27-18-35-32(40(19-22-10-6-4-7-11-22)20-23-12-8-5-9-13-23)31-26(27)17-28(36-31)25-15-14-24(16-30(25)42-3)29-21-39(2)38-37-29/h4-18,21,36H,19-20H2,1-3H3,(H,34,41).
What are the key properties of 7-(dibenzylamino)-2-[2-methoxy-4-(1-methyltriazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
7-(dibenzylamino)-2-[2-methoxy-4-(1-methyltriazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 557.66 g/mol, XLogP of 5.60, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dibenzylamino)-2-[2-methoxy-4-(1-methyltriazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 146634515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).