2-(dimethylamino)-N-[(3R,5S)-1-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-5-methylpiperidin-3-yl]acetamide

C17H23FN6O — CID 129241204

IUPAC2-(dimethylamino)-N-[(3R,5S)-1-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-5-methylpiperidin-3-yl]acetamide
SMILESC[C@H]1C[C@@H](NC(=O)CN(C)C)CN(c2ncc(F)c3nccnc23)C1
InChIInChI=1S/C17H23FN6O/c1-11-6-12(22-14(25)10-23(2)3)9-24(8-11)17-16-15(13(18)7-21-17)19-4-5-20-16/h4-5,7,11-12H,6,8-10H2,1-3H3,(H,22,25)/t11-,12+/m0/s1
InChIKeyPVNCUVHWPUDNTF-NWDGAFQWSA-N
MW346.41 g/mol
LogP1.06
Rot. Bonds4

About 2-(dimethylamino)-N-[(3R,5S)-1-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-5-methylpiperidin-3-yl]acetamide

2-(dimethylamino)-N-[(3R,5S)-1-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-5-methylpiperidin-3-yl]acetamide (PubChem CID 129241204) has the molecular formula C17H23FN6O and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(3R,5S)-1-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-5-methylpiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(3R,5S)-1-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-5-methylpiperidin-3-yl]acetamide
PubChem CID129241204
Molecular FormulaC17H23FN6O
Molecular Weight346.41 g/mol
Exact Mass346.19
IUPAC Name2-(dimethylamino)-N-[(3R,5S)-1-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-5-methylpiperidin-3-yl]acetamide
SMILESC[C@H]1C[C@@H](NC(=O)CN(C)C)CN(c2ncc(F)c3nccnc23)C1
InChIInChI=1S/C17H23FN6O/c1-11-6-12(22-14(25)10-23(2)3)9-24(8-11)17-16-15(13(18)7-21-17)19-4-5-20-16/h4-5,7,11-12H,6,8-10H2,1-3H3,(H,22,25)/t11-,12+/m0/s1
InChIKeyPVNCUVHWPUDNTF-NWDGAFQWSA-N
XLogP1.06
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,6R)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2,6-dimethylmorpholine
CID 129240689
2-[2-aminoethyl(2-hydroxyethyl)amino]-N-[(3R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide
CID 146329429
N-[(3R,5S)-1-(8-cyano-6-fluoroquinoxalin-5-yl)-5-methylpiperidin-3-yl]-3,3-dimethylbutanamide
CID 129241174
tert-butyl N-[1-(8-fluoroquinoxalin-5-yl)-5-methylpiperidin-3-yl]carbamate
CID 129276893
N-[(3R,5S)-1-[8-(difluoromethyl)quinoxalin-5-yl]-5-methylpiperidin-3-yl]propanamide
CID 162572461
2-(3-hydroxyazetidin-1-yl)-N-[(3R,5S)-5-methyl-1-(8-methylquinoxalin-5-yl)piperidin-3-yl]acetamide
CID 166777898
2-(1-hydroxycyclopropyl)-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 129241298
2-(3-hydroxyazetidin-1-yl)-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]acetamide
CID 129240993
2-amino-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide
CID 129241344
3-amino-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]propanamide
CID 146316950
(3R)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-3-methylpentanamide
CID 129241062
N-[1-(8-cyanoquinolin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(dimethylamino)acetamide
CID 129240626

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(3R,5S)-1-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-5-methylpiperidin-3-yl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[(3R,5S)-1-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-5-methylpiperidin-3-yl]acetamide (CID 129241204) is 2-(dimethylamino)-N-[(3R,5S)-1-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-5-methylpiperidin-3-yl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(3R,5S)-1-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-5-methylpiperidin-3-yl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[(3R,5S)-1-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-5-methylpiperidin-3-yl]acetamide is C[C@H]1C[C@@H](NC(=O)CN(C)C)CN(c2ncc(F)c3nccnc23)C1.
What is the InChIKey of 2-(dimethylamino)-N-[(3R,5S)-1-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-5-methylpiperidin-3-yl]acetamide?
The InChIKey is PVNCUVHWPUDNTF-NWDGAFQWSA-N. The full InChI is InChI=1S/C17H23FN6O/c1-11-6-12(22-14(25)10-23(2)3)9-24(8-11)17-16-15(13(18)7-21-17)19-4-5-20-16/h4-5,7,11-12H,6,8-10H2,1-3H3,(H,22,25)/t11-,12+/m0/s1.
What are the key properties of 2-(dimethylamino)-N-[(3R,5S)-1-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-5-methylpiperidin-3-yl]acetamide?
2-(dimethylamino)-N-[(3R,5S)-1-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-5-methylpiperidin-3-yl]acetamide has a molecular weight of 346.41 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(3R,5S)-1-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-5-methylpiperidin-3-yl]acetamide is sourced from PubChem (CID 129241204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).