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

C48H42N10O2 — CID 159800714

IUPAC4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide;4-[(1R,7S)-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide
SMILESCc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)[C@@H]2CC[C@H]3C2)n1.Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)[C@H]2CC[C@@H]3C2)n1
InChIInChI=1S/2C24H21N5O/c2*1-13-3-2-4-20(27-13)22-21(23-14-5-7-16(11-14)29(23)28-22)17-9-10-26-19-8-6-15(24(25)30)12-18(17)19/h2*2-4,6,8-10,12,14,16H,5,7,11H2,1H3,(H2,25,30)/t2*14-,16+/m10/s1
InChIKeyNJTDTDQMKPNBPH-PTMVTKKISA-N
MW790.93 g/mol
LogP8.78
Rot. Bonds6

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

4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide;4-[(1R,7S)-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide (PubChem CID 159800714) has the molecular formula C48H42N10O2 and a molecular weight of 790.93 g/mol. Its IUPAC name is 4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide;4-[(1R,7S)-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide.

Molecular Properties

Compound Name4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide;4-[(1R,7S)-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide
PubChem CID159800714
Molecular FormulaC48H42N10O2
Molecular Weight790.93 g/mol
Exact Mass790.35
IUPAC Name4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide;4-[(1R,7S)-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide
SMILESCc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)[C@@H]2CC[C@H]3C2)n1.Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)[C@H]2CC[C@@H]3C2)n1
InChIInChI=1S/2C24H21N5O/c2*1-13-3-2-4-20(27-13)22-21(23-14-5-7-16(11-14)29(23)28-22)17-9-10-26-19-8-6-15(24(25)30)12-18(17)19/h2*2-4,6,8-10,12,14,16H,5,7,11H2,1H3,(H2,25,30)/t2*14-,16+/m10/s1
InChIKeyNJTDTDQMKPNBPH-PTMVTKKISA-N
XLogP8.78
TPSA173.38 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.93
LogP ≤ 58.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Launch Full Analysis

Related Compounds

4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide;4-[(1R,7S)-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide;4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide
CID 162034650
4-[4,4,5,5,6,6-hexadeuterio-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-e]pyrazol-3-yl]quinoline-6-carboxamide
CID 131708758
4-(6-methyl-2-pyridinyl)-5-[2-(4-methylsulfonylphenyl)-4-pyridinyl]-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-diene
CID 139418861
2-[[4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]-2-pyridinyl]amino]ethanol
CID 134439562
carbamoyl 4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline-7-carboxylate
CID 91395309
4-[2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-6-methyl-4-pyridinyl]quinoline-6-carboxamide
CID 171347307
4-(6-methyl-2-pyridinyl)-5-[2-(4-methylsulfonylphenyl)-4-pyridinyl]-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-diene;2-(4-methylsulfonylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 158551384
1-[4-[4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]phenyl]-2-(oxan-4-yl)ethanone
CID 157103661
6-isocyano-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline
CID 59323496
4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide
CID 66678679
methyl 3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]propanoate
CID 10251668
(1R)-4-(6-methyl-2-pyridinyl)-3-[2-(4-methylsulfinylphenyl)-4-pyridinyl]-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene
CID 134439691

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide;4-[(1R,7S)-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide?
The IUPAC name of 4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide;4-[(1R,7S)-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide (CID 159800714) is 4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide;4-[(1R,7S)-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide.
What is the SMILES notation for 4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide;4-[(1R,7S)-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide?
The canonical SMILES for 4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide;4-[(1R,7S)-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide is Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)[C@@H]2CC[C@H]3C2)n1.Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)[C@H]2CC[C@@H]3C2)n1.
What is the InChIKey of 4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide;4-[(1R,7S)-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide?
The InChIKey is NJTDTDQMKPNBPH-PTMVTKKISA-N. The full InChI is InChI=1S/2C24H21N5O/c2*1-13-3-2-4-20(27-13)22-21(23-14-5-7-16(11-14)29(23)28-22)17-9-10-26-19-8-6-15(24(25)30)12-18(17)19/h2*2-4,6,8-10,12,14,16H,5,7,11H2,1H3,(H2,25,30)/t2*14-,16+/m10/s1.
What are the key properties of 4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide;4-[(1R,7S)-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide?
4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide;4-[(1R,7S)-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide has a molecular weight of 790.93 g/mol, XLogP of 8.78, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,7R)-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide;4-[(1R,7S)-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide is sourced from PubChem (CID 159800714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).