2-[4-[(2R,4S,5S,6R)-4-amino-6-tert-butyl-5-hydroxyoxan-2-yl]-3-pyridinyl]-1-(3-amino-6-phenylpyrazin-2-yl)ethanone

C26H31N5O3 — CID 160847726

IUPAC2-[4-[(2R,4S,5S,6R)-4-amino-6-tert-butyl-5-hydroxyoxan-2-yl]-3-pyridinyl]-1-(3-amino-6-phenylpyrazin-2-yl)ethanone
SMILESCC(C)(C)[C@H]1O[C@@H](c2ccncc2CC(=O)c2nc(-c3ccccc3)cnc2N)C[C@H](N)[C@@H]1O
InChIInChI=1S/C26H31N5O3/c1-26(2,3)24-23(33)18(27)12-21(34-24)17-9-10-29-13-16(17)11-20(32)22-25(28)30-14-19(31-22)15-7-5-4-6-8-15/h4-10,13-14,18,21,23-24,33H,11-12,27H2,1-3H3,(H2,28,30)/t18-,21+,23-,24-/m0/s1
InChIKeySIVYZEIVRHEPBW-ZKZIVCHGSA-N
MW461.57 g/mol
LogP3.11
Rot. Bonds5

About 2-[4-[(2R,4S,5S,6R)-4-amino-6-tert-butyl-5-hydroxyoxan-2-yl]-3-pyridinyl]-1-(3-amino-6-phenylpyrazin-2-yl)ethanone

2-[4-[(2R,4S,5S,6R)-4-amino-6-tert-butyl-5-hydroxyoxan-2-yl]-3-pyridinyl]-1-(3-amino-6-phenylpyrazin-2-yl)ethanone (PubChem CID 160847726) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 2-[4-[(2R,4S,5S,6R)-4-amino-6-tert-butyl-5-hydroxyoxan-2-yl]-3-pyridinyl]-1-(3-amino-6-phenylpyrazin-2-yl)ethanone.

Molecular Properties

Compound Name2-[4-[(2R,4S,5S,6R)-4-amino-6-tert-butyl-5-hydroxyoxan-2-yl]-3-pyridinyl]-1-(3-amino-6-phenylpyrazin-2-yl)ethanone
PubChem CID160847726
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Name2-[4-[(2R,4S,5S,6R)-4-amino-6-tert-butyl-5-hydroxyoxan-2-yl]-3-pyridinyl]-1-(3-amino-6-phenylpyrazin-2-yl)ethanone
SMILESCC(C)(C)[C@H]1O[C@@H](c2ccncc2CC(=O)c2nc(-c3ccccc3)cnc2N)C[C@H](N)[C@@H]1O
InChIInChI=1S/C26H31N5O3/c1-26(2,3)24-23(33)18(27)12-21(34-24)17-9-10-29-13-16(17)11-20(32)22-25(28)30-14-19(31-22)15-7-5-4-6-8-15/h4-10,13-14,18,21,23-24,33H,11-12,27H2,1-3H3,(H2,28,30)/t18-,21+,23-,24-/m0/s1
InChIKeySIVYZEIVRHEPBW-ZKZIVCHGSA-N
XLogP3.11
TPSA137.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[4-[(2R,4S,5S,6R)-4-amino-6-tert-butyl-5-hydroxyoxan-2-yl]-3-pyridinyl]-1-(3-amino-6-phenylpyrazin-2-yl)ethanone 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

2-[4-[(2S,4S,5R)-4-amino-6-cyclopropyl-5-hydroxy-5-methyloxan-2-yl]-3-pyridinyl]-1-(3-amino-6-phenylpyrazin-2-yl)ethanone
CID 158645013
2-[4-[(2R,4R,4aS,7aR)-4-amino-4a-hydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl]-3-pyridinyl]-1-(3-amino-6-phenylpyrazin-2-yl)ethanone
CID 158127254
1-(3-amino-6-phenylpyrazin-2-yl)-2-[4-[(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]ethanone
CID 147092540
3-amino-N-[4-(4-amino-6-cyclopropyl-5-hydroxyoxan-2-yl)-3-pyridinyl]-6-phenylpyrazine-2-carboxamide
CID 77240993
1-(3-amino-6-phenylpyrazin-2-yl)-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167691905
2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(3-amino-6-pyridin-3-ylpyrazin-2-yl)ethanone
CID 147607647
2-[4-[(2R,4R,5S,6R)-4-amino-6-ethyl-5-hydroxyoxan-2-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone
CID 160561330
1-(3-amino-6-phenylpyrazin-2-yl)ethanone
CID 58840776
benzyl N-[2-[4-[5-amino-6-[2-[4-(3-methylazetidin-1-yl)-3-pyridinyl]acetyl]pyrazin-2-yl]phenyl]ethyl]carbamate
CID 167639210
3-[2-[4-[(2R,4R,5S,6R)-6-ethyl-4,5-dihydroxyoxan-2-yl]-3-pyridinyl]acetyl]-5-phenyl-1H-pyridin-4-one
CID 161207418
1-[3-amino-6-(3-chlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167618356
(2S)-3-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]-2-(methylamino)propanoic acid
CID 167698926

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R,4S,5S,6R)-4-amino-6-tert-butyl-5-hydroxyoxan-2-yl]-3-pyridinyl]-1-(3-amino-6-phenylpyrazin-2-yl)ethanone?
The IUPAC name of 2-[4-[(2R,4S,5S,6R)-4-amino-6-tert-butyl-5-hydroxyoxan-2-yl]-3-pyridinyl]-1-(3-amino-6-phenylpyrazin-2-yl)ethanone (CID 160847726) is 2-[4-[(2R,4S,5S,6R)-4-amino-6-tert-butyl-5-hydroxyoxan-2-yl]-3-pyridinyl]-1-(3-amino-6-phenylpyrazin-2-yl)ethanone.
What is the SMILES notation for 2-[4-[(2R,4S,5S,6R)-4-amino-6-tert-butyl-5-hydroxyoxan-2-yl]-3-pyridinyl]-1-(3-amino-6-phenylpyrazin-2-yl)ethanone?
The canonical SMILES for 2-[4-[(2R,4S,5S,6R)-4-amino-6-tert-butyl-5-hydroxyoxan-2-yl]-3-pyridinyl]-1-(3-amino-6-phenylpyrazin-2-yl)ethanone is CC(C)(C)[C@H]1O[C@@H](c2ccncc2CC(=O)c2nc(-c3ccccc3)cnc2N)C[C@H](N)[C@@H]1O.
What is the InChIKey of 2-[4-[(2R,4S,5S,6R)-4-amino-6-tert-butyl-5-hydroxyoxan-2-yl]-3-pyridinyl]-1-(3-amino-6-phenylpyrazin-2-yl)ethanone?
The InChIKey is SIVYZEIVRHEPBW-ZKZIVCHGSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-26(2,3)24-23(33)18(27)12-21(34-24)17-9-10-29-13-16(17)11-20(32)22-25(28)30-14-19(31-22)15-7-5-4-6-8-15/h4-10,13-14,18,21,23-24,33H,11-12,27H2,1-3H3,(H2,28,30)/t18-,21+,23-,24-/m0/s1.
What are the key properties of 2-[4-[(2R,4S,5S,6R)-4-amino-6-tert-butyl-5-hydroxyoxan-2-yl]-3-pyridinyl]-1-(3-amino-6-phenylpyrazin-2-yl)ethanone?
2-[4-[(2R,4S,5S,6R)-4-amino-6-tert-butyl-5-hydroxyoxan-2-yl]-3-pyridinyl]-1-(3-amino-6-phenylpyrazin-2-yl)ethanone has a molecular weight of 461.57 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R,4S,5S,6R)-4-amino-6-tert-butyl-5-hydroxyoxan-2-yl]-3-pyridinyl]-1-(3-amino-6-phenylpyrazin-2-yl)ethanone is sourced from PubChem (CID 160847726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).