N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide

C19H22F3N7O4 — CID 171557296

IUPACN-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide
SMILESO=C(NC[C@H]1OC[C@H](Nc2cncc(C(F)(F)F)n2)[C@@H](O)[C@H]1O)c1ncc2c(n1)CCNC2
InChIInChI=1S/C19H22F3N7O4/c20-19(21,22)13-6-24-7-14(29-13)27-11-8-33-12(16(31)15(11)30)5-26-18(32)17-25-4-9-3-23-2-1-10(9)28-17/h4,6-7,11-12,15-16,23,30-31H,1-3,5,8H2,(H,26,32)(H,27,29)/t11-,12+,15+,16-/m0/s1
InChIKeyUFYPUFXWMCCOMQ-OJDYBEQGSA-N
MW469.42 g/mol
LogP-0.74
Rot. Bonds5

About N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide

N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide (PubChem CID 171557296) has the molecular formula C19H22F3N7O4 and a molecular weight of 469.42 g/mol. Its IUPAC name is N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide
PubChem CID171557296
Molecular FormulaC19H22F3N7O4
Molecular Weight469.42 g/mol
Exact Mass469.17
IUPAC NameN-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide
SMILESO=C(NC[C@H]1OC[C@H](Nc2cncc(C(F)(F)F)n2)[C@@H](O)[C@H]1O)c1ncc2c(n1)CCNC2
InChIInChI=1S/C19H22F3N7O4/c20-19(21,22)13-6-24-7-14(29-13)27-11-8-33-12(16(31)15(11)30)5-26-18(32)17-25-4-9-3-23-2-1-10(9)28-17/h4,6-7,11-12,15-16,23,30-31H,1-3,5,8H2,(H,26,32)(H,27,29)/t11-,12+,15+,16-/m0/s1
InChIKeyUFYPUFXWMCCOMQ-OJDYBEQGSA-N
XLogP-0.74
TPSA154.41 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.42
LogP ≤ 5-0.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 2-[[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methylcarbamoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 171556904
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5-phenylpyrimidine-2-carboxamide
CID 171556947
N-[(3,4-dihydroxyoxan-2-yl)methyl]-5-phenylpyrimidine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171557007
N-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171557396
(2R,3R,4R,5S)-2-[[4-(2-methylpropyl)pyrimidin-2-yl]oxymethyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 171558266
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]quinazoline-2-carboxamide
CID 171558834
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 176953460
(2R,3R,4R,5S)-2-[[[(1R)-1-[5-(2-methylpropyl)pyrimidin-2-yl]ethyl]amino]methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 176953510
(2R,3R,4R,5S)-2-[[[(1S)-1-[5-(2-methylpropyl)pyrimidin-2-yl]ethyl]amino]methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 176953580
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5-(2-methylpropyl)pyrimidine-2-carboxamide
CID 177015495
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxamide
CID 177015798
(2R,3R,4R)-2-[[[(1S)-1-[5-(2-methylpropyl)pyrimidin-2-yl]ethyl]amino]methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol
CID 177015847

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide?
The IUPAC name of N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide (CID 171557296) is N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide?
The canonical SMILES for N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide is O=C(NC[C@H]1OC[C@H](Nc2cncc(C(F)(F)F)n2)[C@@H](O)[C@H]1O)c1ncc2c(n1)CCNC2.
What is the InChIKey of N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide?
The InChIKey is UFYPUFXWMCCOMQ-OJDYBEQGSA-N. The full InChI is InChI=1S/C19H22F3N7O4/c20-19(21,22)13-6-24-7-14(29-13)27-11-8-33-12(16(31)15(11)30)5-26-18(32)17-25-4-9-3-23-2-1-10(9)28-17/h4,6-7,11-12,15-16,23,30-31H,1-3,5,8H2,(H,26,32)(H,27,29)/t11-,12+,15+,16-/m0/s1.
What are the key properties of N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide?
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide has a molecular weight of 469.42 g/mol, XLogP of -0.74, 5 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 171557296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).