4-(3-amino-1H-indazol-5-yl)-N-[3-(dimethylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C20H23N7O — CID 170351912

IUPAC4-(3-amino-1H-indazol-5-yl)-N-[3-(dimethylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cc2c(-c3ccc4[nH]nc(N)c4c3)ccnc2[nH]1
InChIInChI=1S/C20H23N7O/c1-27(2)9-3-7-23-20(28)17-11-14-13(6-8-22-19(14)24-17)12-4-5-16-15(10-12)18(21)26-25-16/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,22,24)(H,23,28)(H3,21,25,26)
InChIKeyFFVQDUNZSTXEGX-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.37
Rot. Bonds6

About 4-(3-amino-1H-indazol-5-yl)-N-[3-(dimethylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

4-(3-amino-1H-indazol-5-yl)-N-[3-(dimethylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 170351912) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-(3-amino-1H-indazol-5-yl)-N-[3-(dimethylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-amino-1H-indazol-5-yl)-N-[3-(dimethylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID170351912
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name4-(3-amino-1H-indazol-5-yl)-N-[3-(dimethylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cc2c(-c3ccc4[nH]nc(N)c4c3)ccnc2[nH]1
InChIInChI=1S/C20H23N7O/c1-27(2)9-3-7-23-20(28)17-11-14-13(6-8-22-19(14)24-17)12-4-5-16-15(10-12)18(21)26-25-16/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,22,24)(H,23,28)(H3,21,25,26)
InChIKeyFFVQDUNZSTXEGX-UHFFFAOYSA-N
XLogP2.37
TPSA115.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(1-aminoisoquinolin-7-yl)-N-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide
CID 171446247
N-[3-(dimethylamino)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 57483005
N-[3-(dimethylamino)propyl]-5-methyl-1H-indole-2-carboxamide
CID 113207116
5-[2-[3-(2-phenylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine
CID 172570945
4-[3-(4-aminophenyl)-1-ethylpyrazol-4-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 46237279
5-[2-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine
CID 172570832
4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-benzyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 147751869
4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 155210718
5-[2-(6-phenylmethoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine
CID 172571031
N-[3-(dimethylamino)propyl]-4,5,6-trimethoxy-1H-indole-2-carboxamide
CID 4911389
N-[3-(dimethylamino)propyl]-4-(1H-isoindol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;4-(1H-isoindol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 162037753
4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 147732503

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1H-indazol-5-yl)-N-[3-(dimethylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-(3-amino-1H-indazol-5-yl)-N-[3-(dimethylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 170351912) is 4-(3-amino-1H-indazol-5-yl)-N-[3-(dimethylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-amino-1H-indazol-5-yl)-N-[3-(dimethylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-(3-amino-1H-indazol-5-yl)-N-[3-(dimethylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is CN(C)CCCNC(=O)c1cc2c(-c3ccc4[nH]nc(N)c4c3)ccnc2[nH]1.
What is the InChIKey of 4-(3-amino-1H-indazol-5-yl)-N-[3-(dimethylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is FFVQDUNZSTXEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-27(2)9-3-7-23-20(28)17-11-14-13(6-8-22-19(14)24-17)12-4-5-16-15(10-12)18(21)26-25-16/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,22,24)(H,23,28)(H3,21,25,26).
What are the key properties of 4-(3-amino-1H-indazol-5-yl)-N-[3-(dimethylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
4-(3-amino-1H-indazol-5-yl)-N-[3-(dimethylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.37, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1H-indazol-5-yl)-N-[3-(dimethylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 170351912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).