N-[2-(dimethylamino)ethyl]-N,3-diethyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indole-5-carboxamide

C24H29N5O — CID 150288435

IUPACN-[2-(dimethylamino)ethyl]-N,3-diethyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indole-5-carboxamide
SMILESCCc1c(-c2ccnc3[nH]ccc23)[nH]c2ccc(C(=O)N(CC)CCN(C)C)cc12
InChIInChI=1S/C24H29N5O/c1-5-17-20-15-16(24(30)29(6-2)14-13-28(3)4)7-8-21(20)27-22(17)18-9-11-25-23-19(18)10-12-26-23/h7-12,15,27H,5-6,13-14H2,1-4H3,(H,25,26)
InChIKeyGHBLURMITFIUND-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.30
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-N,3-diethyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indole-5-carboxamide

N-[2-(dimethylamino)ethyl]-N,3-diethyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indole-5-carboxamide (PubChem CID 150288435) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N,3-diethyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N,3-diethyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indole-5-carboxamide
PubChem CID150288435
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC NameN-[2-(dimethylamino)ethyl]-N,3-diethyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indole-5-carboxamide
SMILESCCc1c(-c2ccnc3[nH]ccc23)[nH]c2ccc(C(=O)N(CC)CCN(C)C)cc12
InChIInChI=1S/C24H29N5O/c1-5-17-20-15-16(24(30)29(6-2)14-13-28(3)4)7-8-21(20)27-22(17)18-9-11-25-23-19(18)10-12-26-23/h7-12,15,27H,5-6,13-14H2,1-4H3,(H,25,26)
InChIKeyGHBLURMITFIUND-UHFFFAOYSA-N
XLogP4.30
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N,3-diethyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N,3-diethyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indole-5-carboxamide (CID 150288435) is N-[2-(dimethylamino)ethyl]-N,3-diethyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N,3-diethyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N,3-diethyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indole-5-carboxamide is CCc1c(-c2ccnc3[nH]ccc23)[nH]c2ccc(C(=O)N(CC)CCN(C)C)cc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N,3-diethyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indole-5-carboxamide?
The InChIKey is GHBLURMITFIUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-5-17-20-15-16(24(30)29(6-2)14-13-28(3)4)7-8-21(20)27-22(17)18-9-11-25-23-19(18)10-12-26-23/h7-12,15,27H,5-6,13-14H2,1-4H3,(H,25,26).
What are the key properties of N-[2-(dimethylamino)ethyl]-N,3-diethyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indole-5-carboxamide?
N-[2-(dimethylamino)ethyl]-N,3-diethyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indole-5-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N,3-diethyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indole-5-carboxamide is sourced from PubChem (CID 150288435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).