6-[(1R,7S)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide;6-[(1S,7R)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide

C46H38N10O2 — CID 158135747

IUPAC6-[(1R,7S)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide;6-[(1S,7R)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide
SMILESNC(=O)c1ccnc2ccc(-c3c(-c4ccccn4)nc4n3[C@@H]3CC[C@H]4C3)cc12.NC(=O)c1ccnc2ccc(-c3c(-c4ccccn4)nc4n3[C@H]3CC[C@@H]4C3)cc12
InChIInChI=1S/2C23H19N5O/c2*24-22(29)16-8-10-26-18-7-5-13(12-17(16)18)21-20(19-3-1-2-9-25-19)27-23-14-4-6-15(11-14)28(21)23/h2*1-3,5,7-10,12,14-15H,4,6,11H2,(H2,24,29)/t2*14-,15+/m10/s1
InChIKeyFTIBHJRPZXBJQU-PNSAJKJISA-N
MW762.88 g/mol
LogP8.16
Rot. Bonds6

About 6-[(1R,7S)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide;6-[(1S,7R)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide

6-[(1R,7S)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide;6-[(1S,7R)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide (PubChem CID 158135747) has the molecular formula C46H38N10O2 and a molecular weight of 762.88 g/mol. Its IUPAC name is 6-[(1R,7S)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide;6-[(1S,7R)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name6-[(1R,7S)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide;6-[(1S,7R)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide
PubChem CID158135747
Molecular FormulaC46H38N10O2
Molecular Weight762.88 g/mol
Exact Mass762.32
IUPAC Name6-[(1R,7S)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide;6-[(1S,7R)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide
SMILESNC(=O)c1ccnc2ccc(-c3c(-c4ccccn4)nc4n3[C@@H]3CC[C@H]4C3)cc12.NC(=O)c1ccnc2ccc(-c3c(-c4ccccn4)nc4n3[C@H]3CC[C@@H]4C3)cc12
InChIInChI=1S/2C23H19N5O/c2*24-22(29)16-8-10-26-18-7-5-13(12-17(16)18)21-20(19-3-1-2-9-25-19)27-23-14-4-6-15(11-14)28(21)23/h2*1-3,5,7-10,12,14-15H,4,6,11H2,(H2,24,29)/t2*14-,15+/m10/s1
InChIKeyFTIBHJRPZXBJQU-PNSAJKJISA-N
XLogP8.16
TPSA173.38 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.88
LogP ≤ 58.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[(1R,7S)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide;6-[(1S,7R)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide with MolForge

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Related Compounds

US10906905, Example 39-1
CID 134439632
US10906905, Example 29
CID 134439670
US10906905, Example 1
CID 134439678
US10906905, Example 1-1
CID 134439679
US10906905, Example 1-2
CID 134439680
US10906905, Example 45-1
CID 134439748
6-[4-(5-Fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide
CID 134439627
6-[(1R,7S)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide
CID 134439634
2-[6-[(1S,7R)-4-(5-fluoro-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinolin-4-yl]acetamide
CID 153326742
6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-pyridin-4-yl-5H-pyrrolo[3,4-b]pyridin-7-one;4-pyridin-4-yl-6-(2-quinolin-2-ylethyl)-5H-pyrrolo[3,4-b]pyridin-7-one
CID 71152177
(2-cyclopentyl-5-imidazol-1-ylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone;(5-imidazol-1-ylsulfonyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone
CID 91589627
N-[[3-[5-[2-[3-[(3-phenylpropanoylamino)methyl]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]phenyl]methyl]quinoline-8-carboxamide
CID 134370101

Frequently Asked Questions

What is the IUPAC name of 6-[(1R,7S)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide;6-[(1S,7R)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide?
The IUPAC name of 6-[(1R,7S)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide;6-[(1S,7R)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide (CID 158135747) is 6-[(1R,7S)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide;6-[(1S,7R)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide.
What is the SMILES notation for 6-[(1R,7S)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide;6-[(1S,7R)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide?
The canonical SMILES for 6-[(1R,7S)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide;6-[(1S,7R)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide is NC(=O)c1ccnc2ccc(-c3c(-c4ccccn4)nc4n3[C@@H]3CC[C@H]4C3)cc12.NC(=O)c1ccnc2ccc(-c3c(-c4ccccn4)nc4n3[C@H]3CC[C@@H]4C3)cc12.
What is the InChIKey of 6-[(1R,7S)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide;6-[(1S,7R)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide?
The InChIKey is FTIBHJRPZXBJQU-PNSAJKJISA-N. The full InChI is InChI=1S/2C23H19N5O/c2*24-22(29)16-8-10-26-18-7-5-13(12-17(16)18)21-20(19-3-1-2-9-25-19)27-23-14-4-6-15(11-14)28(21)23/h2*1-3,5,7-10,12,14-15H,4,6,11H2,(H2,24,29)/t2*14-,15+/m10/s1.
What are the key properties of 6-[(1R,7S)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide;6-[(1S,7R)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide?
6-[(1R,7S)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide;6-[(1S,7R)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide has a molecular weight of 762.88 g/mol, XLogP of 8.16, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R,7S)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide;6-[(1S,7R)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide is sourced from PubChem (CID 158135747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).