1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-quinolin-7-ylindole-3-carboxamide

C33H30N6O3 — CID 126653866

IUPAC1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-quinolin-7-ylindole-3-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2C3CCC(C3)N2C(=O)Cn2cc(C(N)=O)c3cc(-c4ccc5cccnc5c4)ccc32)n1
InChIInChI=1S/C33H30N6O3/c1-19-4-2-6-29(36-19)37-33(42)31-23-9-11-24(14-23)39(31)30(40)18-38-17-26(32(34)41)25-15-21(10-12-28(25)38)22-8-7-20-5-3-13-35-27(20)16-22/h2-8,10,12-13,15-17,23-24,31H,9,11,14,18H2,1H3,(H2,34,41)(H,36,37,42)/t23?,24?,31-/m0/s1
InChIKeyAPXJYARLJWWEDP-HIKYDRHYSA-N
MW558.64 g/mol
LogP4.68
Rot. Bonds6

About 1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-quinolin-7-ylindole-3-carboxamide

1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-quinolin-7-ylindole-3-carboxamide (PubChem CID 126653866) has the molecular formula C33H30N6O3 and a molecular weight of 558.64 g/mol. Its IUPAC name is 1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-quinolin-7-ylindole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-quinolin-7-ylindole-3-carboxamide
PubChem CID126653866
Molecular FormulaC33H30N6O3
Molecular Weight558.64 g/mol
Exact Mass558.24
IUPAC Name1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-quinolin-7-ylindole-3-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2C3CCC(C3)N2C(=O)Cn2cc(C(N)=O)c3cc(-c4ccc5cccnc5c4)ccc32)n1
InChIInChI=1S/C33H30N6O3/c1-19-4-2-6-29(36-19)37-33(42)31-23-9-11-24(14-23)39(31)30(40)18-38-17-26(32(34)41)25-15-21(10-12-28(25)38)22-8-7-20-5-3-13-35-27(20)16-22/h2-8,10,12-13,15-17,23-24,31H,9,11,14,18H2,1H3,(H2,34,41)(H,36,37,42)/t23?,24?,31-/m0/s1
InChIKeyAPXJYARLJWWEDP-HIKYDRHYSA-N
XLogP4.68
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.64
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-quinolin-7-ylindole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-quinolin-7-ylindole-3-carboxamide?
The IUPAC name of 1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-quinolin-7-ylindole-3-carboxamide (CID 126653866) is 1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-quinolin-7-ylindole-3-carboxamide.
What is the SMILES notation for 1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-quinolin-7-ylindole-3-carboxamide?
The canonical SMILES for 1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-quinolin-7-ylindole-3-carboxamide is Cc1cccc(NC(=O)[C@@H]2C3CCC(C3)N2C(=O)Cn2cc(C(N)=O)c3cc(-c4ccc5cccnc5c4)ccc32)n1.
What is the InChIKey of 1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-quinolin-7-ylindole-3-carboxamide?
The InChIKey is APXJYARLJWWEDP-HIKYDRHYSA-N. The full InChI is InChI=1S/C33H30N6O3/c1-19-4-2-6-29(36-19)37-33(42)31-23-9-11-24(14-23)39(31)30(40)18-38-17-26(32(34)41)25-15-21(10-12-28(25)38)22-8-7-20-5-3-13-35-27(20)16-22/h2-8,10,12-13,15-17,23-24,31H,9,11,14,18H2,1H3,(H2,34,41)(H,36,37,42)/t23?,24?,31-/m0/s1.
What are the key properties of 1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-quinolin-7-ylindole-3-carboxamide?
1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-quinolin-7-ylindole-3-carboxamide has a molecular weight of 558.64 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-quinolin-7-ylindole-3-carboxamide is sourced from PubChem (CID 126653866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).