5-[3-[(cyclopropylamino)methyl]azetidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)pyrazine-2-carboxamide

C20H22FN7O — CID 166848046

IUPAC5-[3-[(cyclopropylamino)methyl]azetidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)pyrazine-2-carboxamide
SMILESCn1cc2cc(NC(=O)c3cnc(N4CC(CNC5CC5)C4)cn3)cc(F)c2n1
InChIInChI=1S/C20H22FN7O/c1-27-11-13-4-15(5-16(21)19(13)26-27)25-20(29)17-7-24-18(8-23-17)28-9-12(10-28)6-22-14-2-3-14/h4-5,7-8,11-12,14,22H,2-3,6,9-10H2,1H3,(H,25,29)
InChIKeyOUEQZIZANOGWHY-UHFFFAOYSA-N
MW395.44 g/mol
LogP1.94
Rot. Bonds6

About 5-[3-[(cyclopropylamino)methyl]azetidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)pyrazine-2-carboxamide

5-[3-[(cyclopropylamino)methyl]azetidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)pyrazine-2-carboxamide (PubChem CID 166848046) has the molecular formula C20H22FN7O and a molecular weight of 395.44 g/mol. Its IUPAC name is 5-[3-[(cyclopropylamino)methyl]azetidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[3-[(cyclopropylamino)methyl]azetidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)pyrazine-2-carboxamide
PubChem CID166848046
Molecular FormulaC20H22FN7O
Molecular Weight395.44 g/mol
Exact Mass395.19
IUPAC Name5-[3-[(cyclopropylamino)methyl]azetidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)pyrazine-2-carboxamide
SMILESCn1cc2cc(NC(=O)c3cnc(N4CC(CNC5CC5)C4)cn3)cc(F)c2n1
InChIInChI=1S/C20H22FN7O/c1-27-11-13-4-15(5-16(21)19(13)26-27)25-20(29)17-7-24-18(8-23-17)28-9-12(10-28)6-22-14-2-3-14/h4-5,7-8,11-12,14,22H,2-3,6,9-10H2,1H3,(H,25,29)
InChIKeyOUEQZIZANOGWHY-UHFFFAOYSA-N
XLogP1.94
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-[(cyclopropylamino)methyl]azetidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
CID 167273203
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide
CID 166507514
5-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide
CID 166507752
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[3-[(3-methoxyazetidin-1-yl)methyl]azetidin-1-yl]pyrazine-2-carboxamide
CID 166507696
5-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide
CID 166507512
tert-butyl 3-formylazetidine-1-carboxylate;N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-5-[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide
CID 175846003
6-[3-(dimethylamino)pyrrolidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 170747450
N-(6-ethoxy-2-methylindazol-5-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide
CID 166507678
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[(1R,5S)-6-pyrrolidin-1-yl-3-azabicyclo[3.1.0]hexan-3-yl]pyrazine-2-carboxamide
CID 168758548
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 166848042
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[3-[(2S)-piperidin-2-yl]azetidin-1-yl]pyrazine-2-carboxamide
CID 167528526
N-(7-fluoro-2-methylindazol-5-yl)-5-piperazin-1-ylpyrido[4,3-c]pyridazine-8-carboxamide
CID 167500344

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(cyclopropylamino)methyl]azetidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-[3-[(cyclopropylamino)methyl]azetidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)pyrazine-2-carboxamide (CID 166848046) is 5-[3-[(cyclopropylamino)methyl]azetidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[3-[(cyclopropylamino)methyl]azetidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[3-[(cyclopropylamino)methyl]azetidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)pyrazine-2-carboxamide is Cn1cc2cc(NC(=O)c3cnc(N4CC(CNC5CC5)C4)cn3)cc(F)c2n1.
What is the InChIKey of 5-[3-[(cyclopropylamino)methyl]azetidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)pyrazine-2-carboxamide?
The InChIKey is OUEQZIZANOGWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN7O/c1-27-11-13-4-15(5-16(21)19(13)26-27)25-20(29)17-7-24-18(8-23-17)28-9-12(10-28)6-22-14-2-3-14/h4-5,7-8,11-12,14,22H,2-3,6,9-10H2,1H3,(H,25,29).
What are the key properties of 5-[3-[(cyclopropylamino)methyl]azetidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)pyrazine-2-carboxamide?
5-[3-[(cyclopropylamino)methyl]azetidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)pyrazine-2-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(cyclopropylamino)methyl]azetidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 166848046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).