3-[3-(cyclopropylamino)pyrrolidin-1-yl]-N-(2,6-dimethylindazol-5-yl)pyrazine-2-carboxamide

C21H25N7O — CID 175846009

IUPAC3-[3-(cyclopropylamino)pyrrolidin-1-yl]-N-(2,6-dimethylindazol-5-yl)pyrazine-2-carboxamide
SMILESCc1cc2nn(C)cc2cc1NC(=O)c1nccnc1N1CCC(NC2CC2)C1
InChIInChI=1S/C21H25N7O/c1-13-9-18-14(11-27(2)26-18)10-17(13)25-21(29)19-20(23-7-6-22-19)28-8-5-16(12-28)24-15-3-4-15/h6-7,9-11,15-16,24H,3-5,8,12H2,1-2H3,(H,25,29)
InChIKeyJZZJVEKCPNZNMO-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.25
Rot. Bonds5

About 3-[3-(cyclopropylamino)pyrrolidin-1-yl]-N-(2,6-dimethylindazol-5-yl)pyrazine-2-carboxamide

3-[3-(cyclopropylamino)pyrrolidin-1-yl]-N-(2,6-dimethylindazol-5-yl)pyrazine-2-carboxamide (PubChem CID 175846009) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 3-[3-(cyclopropylamino)pyrrolidin-1-yl]-N-(2,6-dimethylindazol-5-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[3-(cyclopropylamino)pyrrolidin-1-yl]-N-(2,6-dimethylindazol-5-yl)pyrazine-2-carboxamide
PubChem CID175846009
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name3-[3-(cyclopropylamino)pyrrolidin-1-yl]-N-(2,6-dimethylindazol-5-yl)pyrazine-2-carboxamide
SMILESCc1cc2nn(C)cc2cc1NC(=O)c1nccnc1N1CCC(NC2CC2)C1
InChIInChI=1S/C21H25N7O/c1-13-9-18-14(11-27(2)26-18)10-17(13)25-21(29)19-20(23-7-6-22-19)28-8-5-16(12-28)24-15-3-4-15/h6-7,9-11,15-16,24H,3-5,8,12H2,1-2H3,(H,25,29)
InChIKeyJZZJVEKCPNZNMO-UHFFFAOYSA-N
XLogP2.25
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-ethoxy-2-methylindazol-5-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide
CID 166507678
5-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol
CID 162433627
tert-butyl N-cyclopropyl-N-[1-[5-[(6-hydroxy-2-methylindazol-5-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]carbamate
CID 168891834
6-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)pyridine-2-carboxamide
CID 118233202
3-(3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 62702520
N-[6-(cyclohexylamino)-2-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 144883766
7-fluoro-N-[(3S)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinoxaline-5-carboxamide
CID 124885580
N-[6-(3,6-dihydro-2H-pyridin-1-yl)-2-methylindazol-5-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide
CID 144883764
5-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methylindazol-6-ol
CID 167503461
4-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide
CID 167502110
N,4,5-trimethyl-6-[(3R)-3-(oxepan-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 146112283
N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylindazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;hydrochloride
CID 118226741

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopropylamino)pyrrolidin-1-yl]-N-(2,6-dimethylindazol-5-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-[3-(cyclopropylamino)pyrrolidin-1-yl]-N-(2,6-dimethylindazol-5-yl)pyrazine-2-carboxamide (CID 175846009) is 3-[3-(cyclopropylamino)pyrrolidin-1-yl]-N-(2,6-dimethylindazol-5-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-[3-(cyclopropylamino)pyrrolidin-1-yl]-N-(2,6-dimethylindazol-5-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-[3-(cyclopropylamino)pyrrolidin-1-yl]-N-(2,6-dimethylindazol-5-yl)pyrazine-2-carboxamide is Cc1cc2nn(C)cc2cc1NC(=O)c1nccnc1N1CCC(NC2CC2)C1.
What is the InChIKey of 3-[3-(cyclopropylamino)pyrrolidin-1-yl]-N-(2,6-dimethylindazol-5-yl)pyrazine-2-carboxamide?
The InChIKey is JZZJVEKCPNZNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-13-9-18-14(11-27(2)26-18)10-17(13)25-21(29)19-20(23-7-6-22-19)28-8-5-16(12-28)24-15-3-4-15/h6-7,9-11,15-16,24H,3-5,8,12H2,1-2H3,(H,25,29).
What are the key properties of 3-[3-(cyclopropylamino)pyrrolidin-1-yl]-N-(2,6-dimethylindazol-5-yl)pyrazine-2-carboxamide?
3-[3-(cyclopropylamino)pyrrolidin-1-yl]-N-(2,6-dimethylindazol-5-yl)pyrazine-2-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopropylamino)pyrrolidin-1-yl]-N-(2,6-dimethylindazol-5-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 175846009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).