N-[3-(3-amino-3-oxo-2-phenylpropyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-1H-indole-3-carboxamide

C25H21N5O2 — CID 142659398

IUPACN-[3-(3-amino-3-oxo-2-phenylpropyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-1H-indole-3-carboxamide
SMILESNC(=O)C(Cc1c[nH]c2nc(NC(=O)c3c[nH]c4ccccc34)ccc12)c1ccccc1
InChIInChI=1S/C25H21N5O2/c26-23(31)19(15-6-2-1-3-7-15)12-16-13-28-24-17(16)10-11-22(29-24)30-25(32)20-14-27-21-9-5-4-8-18(20)21/h1-11,13-14,19,27H,12H2,(H2,26,31)(H2,28,29,30,32)
InChIKeyVMHSKSYLDRPUDN-UHFFFAOYSA-N
MW423.48 g/mol
LogP4.11
Rot. Bonds6

About N-[3-(3-amino-3-oxo-2-phenylpropyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-1H-indole-3-carboxamide

N-[3-(3-amino-3-oxo-2-phenylpropyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-1H-indole-3-carboxamide (PubChem CID 142659398) has the molecular formula C25H21N5O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is N-[3-(3-amino-3-oxo-2-phenylpropyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-amino-3-oxo-2-phenylpropyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-1H-indole-3-carboxamide
PubChem CID142659398
Molecular FormulaC25H21N5O2
Molecular Weight423.48 g/mol
Exact Mass423.17
IUPAC NameN-[3-(3-amino-3-oxo-2-phenylpropyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-1H-indole-3-carboxamide
SMILESNC(=O)C(Cc1c[nH]c2nc(NC(=O)c3c[nH]c4ccccc34)ccc12)c1ccccc1
InChIInChI=1S/C25H21N5O2/c26-23(31)19(15-6-2-1-3-7-15)12-16-13-28-24-17(16)10-11-22(29-24)30-25(32)20-14-27-21-9-5-4-8-18(20)21/h1-11,13-14,19,27H,12H2,(H2,26,31)(H2,28,29,30,32)
InChIKeyVMHSKSYLDRPUDN-UHFFFAOYSA-N
XLogP4.11
TPSA116.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-3-yl)-2-pyridin-3-ylpropanamide
CID 173168139
3-(1H-indol-3-yl)-2-phenylpropanoic acid
CID 71683616
methyl 3-(1H-indol-3-yl)-2-phenylpropanoate
CID 134951107
N-(2-hydroxy-1-phenylethyl)-1H-indole-3-carboxamide
CID 63182576
4-amino-2-(1H-indole-3-carbonylamino)-4-oxobutanoic acid
CID 24702715
N-(4-phenylphenyl)-1H-indole-3-carboxamide
CID 17447542
N-(2,6-diethylphenyl)-1H-indole-3-carboxamide
CID 113205558
N-(6-fluoro-3-pyridinyl)-1H-indole-3-carboxamide
CID 103789953
N-[1-(4-aminophenyl)ethyl]-1H-indole-3-carboxamide
CID 116650078
N-(1,2,2,2-tetrachloroethyl)-1H-indole-3-carboxamide
CID 169027247
N-(4-bromophenyl)-1H-indole-3-carboxamide
CID 43082523
N-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide
CID 61221955

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-amino-3-oxo-2-phenylpropyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-1H-indole-3-carboxamide?
The IUPAC name of N-[3-(3-amino-3-oxo-2-phenylpropyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-1H-indole-3-carboxamide (CID 142659398) is N-[3-(3-amino-3-oxo-2-phenylpropyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[3-(3-amino-3-oxo-2-phenylpropyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[3-(3-amino-3-oxo-2-phenylpropyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-1H-indole-3-carboxamide is NC(=O)C(Cc1c[nH]c2nc(NC(=O)c3c[nH]c4ccccc34)ccc12)c1ccccc1.
What is the InChIKey of N-[3-(3-amino-3-oxo-2-phenylpropyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-1H-indole-3-carboxamide?
The InChIKey is VMHSKSYLDRPUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2/c26-23(31)19(15-6-2-1-3-7-15)12-16-13-28-24-17(16)10-11-22(29-24)30-25(32)20-14-27-21-9-5-4-8-18(20)21/h1-11,13-14,19,27H,12H2,(H2,26,31)(H2,28,29,30,32).
What are the key properties of N-[3-(3-amino-3-oxo-2-phenylpropyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-1H-indole-3-carboxamide?
N-[3-(3-amino-3-oxo-2-phenylpropyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-1H-indole-3-carboxamide has a molecular weight of 423.48 g/mol, XLogP of 4.11, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-amino-3-oxo-2-phenylpropyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-1H-indole-3-carboxamide is sourced from PubChem (CID 142659398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).