5-amino-N-[6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide

C26H35N5O4 — CID 71019459

IUPAC5-amino-N-[6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2nc(C3C[C@@]4(C)O[C@@](C)(C3)[C@H](O)[C@@H]4O)ccc2NC(=O)c2ncc(N)[nH]2)CC1
InChIInChI=1S/C26H35N5O4/c1-24(2)9-7-14(8-10-24)19-17(30-23(34)22-28-13-18(27)31-22)6-5-16(29-19)15-11-25(3)20(32)21(33)26(4,12-15)35-25/h5-7,13,15,20-21,32-33H,8-12,27H2,1-4H3,(H,28,31)(H,30,34)/t15?,20-,21+,25+,26-
InChIKeyLFARWCUFDBZKRZ-LDZFRTPCSA-N
MW481.60 g/mol
LogP3.38
Rot. Bonds4

About 5-amino-N-[6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide

5-amino-N-[6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide (PubChem CID 71019459) has the molecular formula C26H35N5O4 and a molecular weight of 481.60 g/mol. Its IUPAC name is 5-amino-N-[6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide
PubChem CID71019459
Molecular FormulaC26H35N5O4
Molecular Weight481.60 g/mol
Exact Mass481.27
IUPAC Name5-amino-N-[6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2nc(C3C[C@@]4(C)O[C@@](C)(C3)[C@H](O)[C@@H]4O)ccc2NC(=O)c2ncc(N)[nH]2)CC1
InChIInChI=1S/C26H35N5O4/c1-24(2)9-7-14(8-10-24)19-17(30-23(34)22-28-13-18(27)31-22)6-5-16(29-19)15-11-25(3)20(32)21(33)26(4,12-15)35-25/h5-7,13,15,20-21,32-33H,8-12,27H2,1-4H3,(H,28,31)(H,30,34)/t15?,20-,21+,25+,26-
InChIKeyLFARWCUFDBZKRZ-LDZFRTPCSA-N
XLogP3.38
TPSA146.38 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 53.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 5-amino-N-[6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-amino-N-[6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide (CID 71019459) is 5-amino-N-[6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-[6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-amino-N-[6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide is CC1(C)CC=C(c2nc(C3C[C@@]4(C)O[C@@](C)(C3)[C@H](O)[C@@H]4O)ccc2NC(=O)c2ncc(N)[nH]2)CC1.
What is the InChIKey of 5-amino-N-[6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide?
The InChIKey is LFARWCUFDBZKRZ-LDZFRTPCSA-N. The full InChI is InChI=1S/C26H35N5O4/c1-24(2)9-7-14(8-10-24)19-17(30-23(34)22-28-13-18(27)31-22)6-5-16(29-19)15-11-25(3)20(32)21(33)26(4,12-15)35-25/h5-7,13,15,20-21,32-33H,8-12,27H2,1-4H3,(H,28,31)(H,30,34)/t15?,20-,21+,25+,26-.
What are the key properties of 5-amino-N-[6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide?
5-amino-N-[6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 3.38, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 71019459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).