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

C22H28F3N7O4 — CID 177015798

IUPACN-[[(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
SMILESCC(C)N1CCc2nc(C(=O)NC[C@H]3OC[C@H](Nc4cncc(C(F)(F)F)n4)[C@@H](O)[C@H]3O)ncc2C1
InChIInChI=1S/C22H28F3N7O4/c1-11(2)32-4-3-13-12(9-32)5-27-20(30-13)21(35)28-6-15-19(34)18(33)14(10-36-15)29-17-8-26-7-16(31-17)22(23,24)25/h5,7-8,11,14-15,18-19,33-34H,3-4,6,9-10H2,1-2H3,(H,28,35)(H,29,31)/t14-,15+,18+,19-/m0/s1
InChIKeyUTGZVEGGZMCSMQ-SFUIVIKGSA-N
MW511.51 g/mol
LogP0.38
Rot. Bonds6

About 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

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 (PubChem CID 177015798) has the molecular formula C22H28F3N7O4 and a molecular weight of 511.51 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]-6-propan-2-yl-7,8-dihydro-5H-pyrido[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]-6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxamide
PubChem CID177015798
Molecular FormulaC22H28F3N7O4
Molecular Weight511.51 g/mol
Exact Mass511.22
IUPAC NameN-[[(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
SMILESCC(C)N1CCc2nc(C(=O)NC[C@H]3OC[C@H](Nc4cncc(C(F)(F)F)n4)[C@@H](O)[C@H]3O)ncc2C1
InChIInChI=1S/C22H28F3N7O4/c1-11(2)32-4-3-13-12(9-32)5-27-20(30-13)21(35)28-6-15-19(34)18(33)14(10-36-15)29-17-8-26-7-16(31-17)22(23,24)25/h5,7-8,11,14-15,18-19,33-34H,3-4,6,9-10H2,1-2H3,(H,28,35)(H,29,31)/t14-,15+,18+,19-/m0/s1
InChIKeyUTGZVEGGZMCSMQ-SFUIVIKGSA-N
XLogP0.38
TPSA145.62 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.51
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 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 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-[[(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
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
(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]-6-propan-2-yl-7,8-dihydro-5H-pyrido[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]-6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxamide (CID 177015798) is 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.
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]-6-propan-2-yl-7,8-dihydro-5H-pyrido[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]-6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxamide is CC(C)N1CCc2nc(C(=O)NC[C@H]3OC[C@H](Nc4cncc(C(F)(F)F)n4)[C@@H](O)[C@H]3O)ncc2C1.
What is the InChIKey of 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?
The InChIKey is UTGZVEGGZMCSMQ-SFUIVIKGSA-N. The full InChI is InChI=1S/C22H28F3N7O4/c1-11(2)32-4-3-13-12(9-32)5-27-20(30-13)21(35)28-6-15-19(34)18(33)14(10-36-15)29-17-8-26-7-16(31-17)22(23,24)25/h5,7-8,11,14-15,18-19,33-34H,3-4,6,9-10H2,1-2H3,(H,28,35)(H,29,31)/t14-,15+,18+,19-/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]-6-propan-2-yl-7,8-dihydro-5H-pyrido[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]-6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxamide has a molecular weight of 511.51 g/mol, XLogP of 0.38, 6 rotatable bonds, 4 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]-6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 177015798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).