N-[(2S)-1-amino-1-oxopropan-2-yl]-5-[3,3-difluoro-1'-[5-(trifluoromethyl)pyrazin-2-yl]spiro[4H-pyrano[2,3-c]pyridine-2,4'-piperidine]-6-yl]-3-fluoropyridine-2-carboxamide

C26H23F6N7O3 — CID 57387896

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-5-[3,3-difluoro-1'-[5-(trifluoromethyl)pyrazin-2-yl]spiro[4H-pyrano[2,3-c]pyridine-2,4'-piperidine]-6-yl]-3-fluoropyridine-2-carboxamide
SMILESC[C@H](NC(=O)c1ncc(-c2cc3c(cn2)OC2(CCN(c4cnc(C(F)(F)F)cn4)CC2)C(F)(F)C3)cc1F)C(N)=O
InChIInChI=1S/C26H23F6N7O3/c1-13(22(33)40)38-23(41)21-16(27)6-15(9-37-21)17-7-14-8-25(28,29)24(42-18(14)10-34-17)2-4-39(5-3-24)20-12-35-19(11-36-20)26(30,31)32/h6-7,9-13H,2-5,8H2,1H3,(H2,33,40)(H,38,41)/t13-/m0/s1
InChIKeyRJRXGFBJROBSGZ-ZDUSSCGKSA-N
MW595.50 g/mol
LogP3.30
Rot. Bonds5

About N-[(2S)-1-amino-1-oxopropan-2-yl]-5-[3,3-difluoro-1'-[5-(trifluoromethyl)pyrazin-2-yl]spiro[4H-pyrano[2,3-c]pyridine-2,4'-piperidine]-6-yl]-3-fluoropyridine-2-carboxamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-5-[3,3-difluoro-1'-[5-(trifluoromethyl)pyrazin-2-yl]spiro[4H-pyrano[2,3-c]pyridine-2,4'-piperidine]-6-yl]-3-fluoropyridine-2-carboxamide (PubChem CID 57387896) has the molecular formula C26H23F6N7O3 and a molecular weight of 595.50 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-5-[3,3-difluoro-1'-[5-(trifluoromethyl)pyrazin-2-yl]spiro[4H-pyrano[2,3-c]pyridine-2,4'-piperidine]-6-yl]-3-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-5-[3,3-difluoro-1'-[5-(trifluoromethyl)pyrazin-2-yl]spiro[4H-pyrano[2,3-c]pyridine-2,4'-piperidine]-6-yl]-3-fluoropyridine-2-carboxamide
PubChem CID57387896
Molecular FormulaC26H23F6N7O3
Molecular Weight595.50 g/mol
Exact Mass595.18
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-5-[3,3-difluoro-1'-[5-(trifluoromethyl)pyrazin-2-yl]spiro[4H-pyrano[2,3-c]pyridine-2,4'-piperidine]-6-yl]-3-fluoropyridine-2-carboxamide
SMILESC[C@H](NC(=O)c1ncc(-c2cc3c(cn2)OC2(CCN(c4cnc(C(F)(F)F)cn4)CC2)C(F)(F)C3)cc1F)C(N)=O
InChIInChI=1S/C26H23F6N7O3/c1-13(22(33)40)38-23(41)21-16(27)6-15(9-37-21)17-7-14-8-25(28,29)24(42-18(14)10-34-17)2-4-39(5-3-24)20-12-35-19(11-36-20)26(30,31)32/h6-7,9-13H,2-5,8H2,1H3,(H2,33,40)(H,38,41)/t13-/m0/s1
InChIKeyRJRXGFBJROBSGZ-ZDUSSCGKSA-N
XLogP3.30
TPSA136.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.50
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(2S)-1-amino-1-oxopropan-2-yl]-5-[3,3-difluoro-1'-[5-(trifluoromethyl)pyrazin-2-yl]spiro[4H-pyrano[2,3-c]pyridine-2,4'-piperidine]-6-yl]-3-fluoropyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N,N-dimethylbenzamide
CID 44521025
6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 10256734
Methyl 7-Fluoro-8-(2-(4-((3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino)-2-oxabicyclo[2.2.2]octan-1-yl)ethyl)-1,5-naphthyridine-2-carboxylate
CID 71152709
2-amino-N-[(4R)-6-fluoro-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830808
6-(5-(difluoromethoxy)pyridin-2-yl)-N-(1-(4-fluorophenyl)ethyl)-1-(2-morpholinoethyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 166831158
N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-4-methylpyridine-2-carboxamide
CID 118707833
N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoropyridin-2-yl]-5-methoxy-3-methylpyridine-2-carboxamide
CID 70356220
N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoropyridin-2-yl]-5-(fluoromethoxy)-3-methylpyridine-2-carboxamide
CID 70356240
N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoropyridin-2-yl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide
CID 88602949
(3-ethoxy-6-methylpyridin-2-yl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyridin-2-yl]amino]piperidin-1-yl]methanone
CID 90442580
2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-ylpyridin-2-yl)-6-methylpyridin-3-yl]pyridine-4-carboxamide
CID 117610054
N-[5-(5-ethoxy-6-morpholin-4-yl-2-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 117610058

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-5-[3,3-difluoro-1'-[5-(trifluoromethyl)pyrazin-2-yl]spiro[4H-pyrano[2,3-c]pyridine-2,4'-piperidine]-6-yl]-3-fluoropyridine-2-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-5-[3,3-difluoro-1'-[5-(trifluoromethyl)pyrazin-2-yl]spiro[4H-pyrano[2,3-c]pyridine-2,4'-piperidine]-6-yl]-3-fluoropyridine-2-carboxamide (CID 57387896) is N-[(2S)-1-amino-1-oxopropan-2-yl]-5-[3,3-difluoro-1'-[5-(trifluoromethyl)pyrazin-2-yl]spiro[4H-pyrano[2,3-c]pyridine-2,4'-piperidine]-6-yl]-3-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-5-[3,3-difluoro-1'-[5-(trifluoromethyl)pyrazin-2-yl]spiro[4H-pyrano[2,3-c]pyridine-2,4'-piperidine]-6-yl]-3-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-5-[3,3-difluoro-1'-[5-(trifluoromethyl)pyrazin-2-yl]spiro[4H-pyrano[2,3-c]pyridine-2,4'-piperidine]-6-yl]-3-fluoropyridine-2-carboxamide is C[C@H](NC(=O)c1ncc(-c2cc3c(cn2)OC2(CCN(c4cnc(C(F)(F)F)cn4)CC2)C(F)(F)C3)cc1F)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-5-[3,3-difluoro-1'-[5-(trifluoromethyl)pyrazin-2-yl]spiro[4H-pyrano[2,3-c]pyridine-2,4'-piperidine]-6-yl]-3-fluoropyridine-2-carboxamide?
The InChIKey is RJRXGFBJROBSGZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C26H23F6N7O3/c1-13(22(33)40)38-23(41)21-16(27)6-15(9-37-21)17-7-14-8-25(28,29)24(42-18(14)10-34-17)2-4-39(5-3-24)20-12-35-19(11-36-20)26(30,31)32/h6-7,9-13H,2-5,8H2,1H3,(H2,33,40)(H,38,41)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-5-[3,3-difluoro-1'-[5-(trifluoromethyl)pyrazin-2-yl]spiro[4H-pyrano[2,3-c]pyridine-2,4'-piperidine]-6-yl]-3-fluoropyridine-2-carboxamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-5-[3,3-difluoro-1'-[5-(trifluoromethyl)pyrazin-2-yl]spiro[4H-pyrano[2,3-c]pyridine-2,4'-piperidine]-6-yl]-3-fluoropyridine-2-carboxamide has a molecular weight of 595.50 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-5-[3,3-difluoro-1'-[5-(trifluoromethyl)pyrazin-2-yl]spiro[4H-pyrano[2,3-c]pyridine-2,4'-piperidine]-6-yl]-3-fluoropyridine-2-carboxamide is sourced from PubChem (CID 57387896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).