5-[(3S,4R)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]-N-(6-methoxy-2-methylindazol-5-yl)pyrazine-2-carboxamide

C19H22FN7O2 — CID 166848173

IUPAC5-[(3S,4R)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]-N-(6-methoxy-2-methylindazol-5-yl)pyrazine-2-carboxamide
SMILESCN[C@@H]1CN(c2cnc(C(=O)Nc3cc4cn(C)nc4cc3OC)cn2)C[C@@H]1F
InChIInChI=1S/C19H22FN7O2/c1-21-16-10-27(9-12(16)20)18-7-22-15(6-23-18)19(28)24-14-4-11-8-26(2)25-13(11)5-17(14)29-3/h4-8,12,16,21H,9-10H2,1-3H3,(H,24,28)/t12-,16+/m0/s1
InChIKeySVDAYZJNTOGLMI-BLLLJJGKSA-N
MW399.43 g/mol
LogP1.37
Rot. Bonds5

About 5-[(3S,4R)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]-N-(6-methoxy-2-methylindazol-5-yl)pyrazine-2-carboxamide

5-[(3S,4R)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]-N-(6-methoxy-2-methylindazol-5-yl)pyrazine-2-carboxamide (PubChem CID 166848173) has the molecular formula C19H22FN7O2 and a molecular weight of 399.43 g/mol. Its IUPAC name is 5-[(3S,4R)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]-N-(6-methoxy-2-methylindazol-5-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(3S,4R)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]-N-(6-methoxy-2-methylindazol-5-yl)pyrazine-2-carboxamide
PubChem CID166848173
Molecular FormulaC19H22FN7O2
Molecular Weight399.43 g/mol
Exact Mass399.18
IUPAC Name5-[(3S,4R)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]-N-(6-methoxy-2-methylindazol-5-yl)pyrazine-2-carboxamide
SMILESCN[C@@H]1CN(c2cnc(C(=O)Nc3cc4cn(C)nc4cc3OC)cn2)C[C@@H]1F
InChIInChI=1S/C19H22FN7O2/c1-21-16-10-27(9-12(16)20)18-7-22-15(6-23-18)19(28)24-14-4-11-8-26(2)25-13(11)5-17(14)29-3/h4-8,12,16,21H,9-10H2,1-3H3,(H,24,28)/t12-,16+/m0/s1
InChIKeySVDAYZJNTOGLMI-BLLLJJGKSA-N
XLogP1.37
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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
tert-butyl N-cyclopropyl-N-[1-[5-[(6-hydroxy-2-methylindazol-5-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]carbamate
CID 168891834
ethane;N-(6-methoxy-2-methylindazol-5-yl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166537279
N-(6-methoxy-2-methylindazol-5-yl)butanamide
CID 177040476
6-chloro-N-(6-methoxy-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 170747616
5-[3-[(cyclopropylamino)methyl]azetidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)pyrazine-2-carboxamide
CID 166848046
N-(2-methoxyphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273814
N-(2,5-dimethoxyphenyl)-5-morpholin-4-ylpyrazine-2-carboxamide
CID 109276688
5-(azepan-1-yl)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109289350
5-(4-ethylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109278676
5-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109278979
N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]quinoxaline-2-carboxamide
CID 154970389

Frequently Asked Questions

What is the IUPAC name of 5-[(3S,4R)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]-N-(6-methoxy-2-methylindazol-5-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-[(3S,4R)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]-N-(6-methoxy-2-methylindazol-5-yl)pyrazine-2-carboxamide (CID 166848173) is 5-[(3S,4R)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]-N-(6-methoxy-2-methylindazol-5-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(3S,4R)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]-N-(6-methoxy-2-methylindazol-5-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(3S,4R)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]-N-(6-methoxy-2-methylindazol-5-yl)pyrazine-2-carboxamide is CN[C@@H]1CN(c2cnc(C(=O)Nc3cc4cn(C)nc4cc3OC)cn2)C[C@@H]1F.
What is the InChIKey of 5-[(3S,4R)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]-N-(6-methoxy-2-methylindazol-5-yl)pyrazine-2-carboxamide?
The InChIKey is SVDAYZJNTOGLMI-BLLLJJGKSA-N. The full InChI is InChI=1S/C19H22FN7O2/c1-21-16-10-27(9-12(16)20)18-7-22-15(6-23-18)19(28)24-14-4-11-8-26(2)25-13(11)5-17(14)29-3/h4-8,12,16,21H,9-10H2,1-3H3,(H,24,28)/t12-,16+/m0/s1.
What are the key properties of 5-[(3S,4R)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]-N-(6-methoxy-2-methylindazol-5-yl)pyrazine-2-carboxamide?
5-[(3S,4R)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]-N-(6-methoxy-2-methylindazol-5-yl)pyrazine-2-carboxamide has a molecular weight of 399.43 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S,4R)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]-N-(6-methoxy-2-methylindazol-5-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 166848173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).