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

C30H30N6O4 — CID 126653857

IUPAC5-(6-methoxy-3-pyridinyl)-1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide
SMILESCOc1ccc(-c2ccc3c(c2)c(C(N)=O)cn3CC(=O)N2C3CCC(C3)[C@H]2C(=O)Nc2cccc(C)n2)cn1
InChIInChI=1S/C30H30N6O4/c1-17-4-3-5-25(33-17)34-30(39)28-19-6-9-21(12-19)36(28)27(37)16-35-15-23(29(31)38)22-13-18(7-10-24(22)35)20-8-11-26(40-2)32-14-20/h3-5,7-8,10-11,13-15,19,21,28H,6,9,12,16H2,1-2H3,(H2,31,38)(H,33,34,39)/t19?,21?,28-/m0/s1
InChIKeySEBJQBAUBQUNBD-BNMCDZCRSA-N
MW538.61 g/mol
LogP3.53
Rot. Bonds7

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

5-(6-methoxy-3-pyridinyl)-1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide (PubChem CID 126653857) has the molecular formula C30H30N6O4 and a molecular weight of 538.61 g/mol. Its IUPAC name is 5-(6-methoxy-3-pyridinyl)-1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide.

Molecular Properties

Compound Name5-(6-methoxy-3-pyridinyl)-1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide
PubChem CID126653857
Molecular FormulaC30H30N6O4
Molecular Weight538.61 g/mol
Exact Mass538.23
IUPAC Name5-(6-methoxy-3-pyridinyl)-1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide
SMILESCOc1ccc(-c2ccc3c(c2)c(C(N)=O)cn3CC(=O)N2C3CCC(C3)[C@H]2C(=O)Nc2cccc(C)n2)cn1
InChIInChI=1S/C30H30N6O4/c1-17-4-3-5-25(33-17)34-30(39)28-19-6-9-21(12-19)36(28)27(37)16-35-15-23(29(31)38)22-13-18(7-10-24(22)35)20-8-11-26(40-2)32-14-20/h3-5,7-8,10-11,13-15,19,21,28H,6,9,12,16H2,1-2H3,(H2,31,38)(H,33,34,39)/t19?,21?,28-/m0/s1
InChIKeySEBJQBAUBQUNBD-BNMCDZCRSA-N
XLogP3.53
TPSA132.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.61
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-3-pyridinyl)-1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide?
The IUPAC name of 5-(6-methoxy-3-pyridinyl)-1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide (CID 126653857) is 5-(6-methoxy-3-pyridinyl)-1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide.
What is the SMILES notation for 5-(6-methoxy-3-pyridinyl)-1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide?
The canonical SMILES for 5-(6-methoxy-3-pyridinyl)-1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide is COc1ccc(-c2ccc3c(c2)c(C(N)=O)cn3CC(=O)N2C3CCC(C3)[C@H]2C(=O)Nc2cccc(C)n2)cn1.
What is the InChIKey of 5-(6-methoxy-3-pyridinyl)-1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide?
The InChIKey is SEBJQBAUBQUNBD-BNMCDZCRSA-N. The full InChI is InChI=1S/C30H30N6O4/c1-17-4-3-5-25(33-17)34-30(39)28-19-6-9-21(12-19)36(28)27(37)16-35-15-23(29(31)38)22-13-18(7-10-24(22)35)20-8-11-26(40-2)32-14-20/h3-5,7-8,10-11,13-15,19,21,28H,6,9,12,16H2,1-2H3,(H2,31,38)(H,33,34,39)/t19?,21?,28-/m0/s1.
What are the key properties of 5-(6-methoxy-3-pyridinyl)-1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide?
5-(6-methoxy-3-pyridinyl)-1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide has a molecular weight of 538.61 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-3-pyridinyl)-1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide is sourced from PubChem (CID 126653857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).