(1R,7S)-1,10,10-trimethyl-5-[6-[(1R,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]-2-pyridinyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene

C27H33N5 — CID 177485125

IUPAC(1R,7S)-1,10,10-trimethyl-5-[6-[(1R,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]-2-pyridinyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
SMILESCC1(C)[C@@H]2CC[C@@]1(C)c1[nH]nc(-c3cccc(-c4n[nH]c5c4[C@H]4CC[C@]5(C)C4(C)C)n3)c12
InChIInChI=1S/C27H33N5/c1-24(2)14-10-12-26(24,5)22-18(14)20(29-31-22)16-8-7-9-17(28-16)21-19-15-11-13-27(6,25(15,3)4)23(19)32-30-21/h7-9,14-15H,10-13H2,1-6H3,(H,29,31)(H,30,32)/t14-,15-,26+,27+/m1/s1
InChIKeyCTRZHHQVVOEYCW-UYASPVFTSA-N
MW427.60 g/mol
LogP6.21
Rot. Bonds2

About (1R,7S)-1,10,10-trimethyl-5-[6-[(1R,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]-2-pyridinyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene

(1R,7S)-1,10,10-trimethyl-5-[6-[(1R,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]-2-pyridinyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene (PubChem CID 177485125) has the molecular formula C27H33N5 and a molecular weight of 427.60 g/mol. Its IUPAC name is (1R,7S)-1,10,10-trimethyl-5-[6-[(1R,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]-2-pyridinyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene.

Molecular Properties

Compound Name(1R,7S)-1,10,10-trimethyl-5-[6-[(1R,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]-2-pyridinyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
PubChem CID177485125
Molecular FormulaC27H33N5
Molecular Weight427.60 g/mol
Exact Mass427.27
IUPAC Name(1R,7S)-1,10,10-trimethyl-5-[6-[(1R,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]-2-pyridinyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
SMILESCC1(C)[C@@H]2CC[C@@]1(C)c1[nH]nc(-c3cccc(-c4n[nH]c5c4[C@H]4CC[C@]5(C)C4(C)C)n3)c12
InChIInChI=1S/C27H33N5/c1-24(2)14-10-12-26(24,5)22-18(14)20(29-31-22)16-8-7-9-17(28-16)21-19-15-11-13-27(6,25(15,3)4)23(19)32-30-21/h7-9,14-15H,10-13H2,1-6H3,(H,29,31)(H,30,32)/t14-,15-,26+,27+/m1/s1
InChIKeyCTRZHHQVVOEYCW-UYASPVFTSA-N
XLogP6.21
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.60
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,7S)-1,10,10-trimethyl-5-[6-[(1R,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]-2-pyridinyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene with MolForge

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Related Compounds

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1,10,10-trimethyl-5-quinazolin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
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(1S,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
CID 98550750
2-bromo-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)pyridine
CID 91113610
4-(4-chlorophenyl)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one
CID 76653489
1,11,11-trimethyl-6-(trifluoromethyl)-3,5-diazatricyclo[6.2.1.02,7]undeca-2(7),5-diene-4-thione
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(1S,8S)-1,11,11-trimethyl-6-(trifluoromethyl)-3,5-diazatricyclo[6.2.1.02,7]undeca-2(7),5-diene-4-thione
CID 98135495
1,11,11-trimethyl-6-(2-methylphenyl)-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine
CID 150532815
4-(3,5-dimethylpiperidin-1-yl)-1,11,11-trimethyl-6-phenyl-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 66492613
(1S,8R)-1,11,11-trimethyl-3,4,6-triazatricyclo[6.2.1.02,7]undeca-2,6-diene-5-thione
CID 40559244
(1R,8S)-1,11,11-trimethyl-3,4,6-triazatricyclo[6.2.1.02,7]undeca-2,6-diene-5-thione
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16,19,19-trimethyl-10,12,14-triazapentacyclo[14.2.1.02,15.03,11.04,9]nonadeca-2,4,6,8,11,14-hexaen-13-one
CID 136744085

Frequently Asked Questions

What is the IUPAC name of (1R,7S)-1,10,10-trimethyl-5-[6-[(1R,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]-2-pyridinyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?
The IUPAC name of (1R,7S)-1,10,10-trimethyl-5-[6-[(1R,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]-2-pyridinyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene (CID 177485125) is (1R,7S)-1,10,10-trimethyl-5-[6-[(1R,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]-2-pyridinyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene.
What is the SMILES notation for (1R,7S)-1,10,10-trimethyl-5-[6-[(1R,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]-2-pyridinyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?
The canonical SMILES for (1R,7S)-1,10,10-trimethyl-5-[6-[(1R,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]-2-pyridinyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene is CC1(C)[C@@H]2CC[C@@]1(C)c1[nH]nc(-c3cccc(-c4n[nH]c5c4[C@H]4CC[C@]5(C)C4(C)C)n3)c12.
What is the InChIKey of (1R,7S)-1,10,10-trimethyl-5-[6-[(1R,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]-2-pyridinyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?
The InChIKey is CTRZHHQVVOEYCW-UYASPVFTSA-N. The full InChI is InChI=1S/C27H33N5/c1-24(2)14-10-12-26(24,5)22-18(14)20(29-31-22)16-8-7-9-17(28-16)21-19-15-11-13-27(6,25(15,3)4)23(19)32-30-21/h7-9,14-15H,10-13H2,1-6H3,(H,29,31)(H,30,32)/t14-,15-,26+,27+/m1/s1.
What are the key properties of (1R,7S)-1,10,10-trimethyl-5-[6-[(1R,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]-2-pyridinyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?
(1R,7S)-1,10,10-trimethyl-5-[6-[(1R,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]-2-pyridinyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene has a molecular weight of 427.60 g/mol, XLogP of 6.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7S)-1,10,10-trimethyl-5-[6-[(1R,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]-2-pyridinyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene is sourced from PubChem (CID 177485125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).