N-(6-ethoxy-2-methylindazol-5-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide

C20H25N7O2 — CID 166507678

IUPACN-(6-ethoxy-2-methylindazol-5-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide
SMILESCCOc1cc2nn(C)cc2cc1NC(=O)c1cnc(N2CC[C@@H](NC)C2)cn1
InChIInChI=1S/C20H25N7O2/c1-4-29-18-8-15-13(11-26(3)25-15)7-16(18)24-20(28)17-9-23-19(10-22-17)27-6-5-14(12-27)21-2/h7-11,14,21H,4-6,12H2,1-3H3,(H,24,28)/t14-/m1/s1
InChIKeyBUHZKUAMCNCQGA-CQSZACIVSA-N
MW395.47 g/mol
LogP1.81
Rot. Bonds6

About N-(6-ethoxy-2-methylindazol-5-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide

N-(6-ethoxy-2-methylindazol-5-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide (PubChem CID 166507678) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is N-(6-ethoxy-2-methylindazol-5-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-2-methylindazol-5-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide
PubChem CID166507678
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC NameN-(6-ethoxy-2-methylindazol-5-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide
SMILESCCOc1cc2nn(C)cc2cc1NC(=O)c1cnc(N2CC[C@@H](NC)C2)cn1
InChIInChI=1S/C20H25N7O2/c1-4-29-18-8-15-13(11-26(3)25-15)7-16(18)24-20(28)17-9-23-19(10-22-17)27-6-5-14(12-27)21-2/h7-11,14,21H,4-6,12H2,1-3H3,(H,24,28)/t14-/m1/s1
InChIKeyBUHZKUAMCNCQGA-CQSZACIVSA-N
XLogP1.81
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(3S,4R)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]-N-(6-methoxy-2-methylindazol-5-yl)pyrazine-2-carboxamide
CID 166848173
tert-butyl N-cyclopropyl-N-[1-[5-[(6-hydroxy-2-methylindazol-5-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]carbamate
CID 168891834
5-[3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide
CID 175889178
N-[6-(3,4-dimethylpiperazin-1-yl)pyridazin-3-yl]-6-ethoxy-2-methylindazole-5-carboxamide;hydrochloride
CID 176646304
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-5-[3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide
CID 66589962
5-[3-[(cyclopropylamino)methyl]azetidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)pyrazine-2-carboxamide
CID 166848046
3-[3-(cyclopropylamino)pyrrolidin-1-yl]-N-(2,6-dimethylindazol-5-yl)pyrazine-2-carboxamide
CID 175846009
5-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide
CID 166507752
N-(6-methoxy-2-methylindazol-5-yl)butanamide
CID 177040476
6-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)pyridine-2-carboxamide
CID 118233202
N-(2-cyclohexyl-6-ethoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155752149
6-amino-N-[6-ethoxy-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]pyridine-2-carboxamide
CID 129283899

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-2-methylindazol-5-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of N-(6-ethoxy-2-methylindazol-5-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide (CID 166507678) is N-(6-ethoxy-2-methylindazol-5-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(6-ethoxy-2-methylindazol-5-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-(6-ethoxy-2-methylindazol-5-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide is CCOc1cc2nn(C)cc2cc1NC(=O)c1cnc(N2CC[C@@H](NC)C2)cn1.
What is the InChIKey of N-(6-ethoxy-2-methylindazol-5-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide?
The InChIKey is BUHZKUAMCNCQGA-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-4-29-18-8-15-13(11-26(3)25-15)7-16(18)24-20(28)17-9-23-19(10-22-17)27-6-5-14(12-27)21-2/h7-11,14,21H,4-6,12H2,1-3H3,(H,24,28)/t14-/m1/s1.
What are the key properties of N-(6-ethoxy-2-methylindazol-5-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide?
N-(6-ethoxy-2-methylindazol-5-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 395.47 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-2-methylindazol-5-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 166507678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).