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

C72H63N15O3 — CID 162034650

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;4-[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)C2CCC3C2)n1.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
InChIInChI=1S/3C24H21N5O/c3*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/h3*2-4,6,8-10,12,14,16H,5,7,11H2,1H3,(H2,25,30)/t2*14-,16+;/m10./s1
InChIKeyYWMIFHUKUMTJJZ-UGLPJBDBSA-N
MW1186.40 g/mol
LogP13.17
Rot. Bonds9

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-[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;4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide (PubChem CID 162034650) has the molecular formula C72H63N15O3 and a molecular weight of 1186.40 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;4-[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;4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-dien-5-yl]quinoline-6-carboxamide
PubChem CID162034650
Molecular FormulaC72H63N15O3
Molecular Weight1186.40 g/mol
Exact Mass1185.52
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;4-[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)C2CCC3C2)n1.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
InChIInChI=1S/3C24H21N5O/c3*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/h3*2-4,6,8-10,12,14,16H,5,7,11H2,1H3,(H2,25,30)/t2*14-,16+;/m10./s1
InChIKeyYWMIFHUKUMTJJZ-UGLPJBDBSA-N
XLogP13.17
TPSA260.07 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001186.40
LogP ≤ 513.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

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;4-[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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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;4-[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;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) 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;4-[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;4-[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;4-[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)C2CCC3C2)n1.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;4-[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 YWMIFHUKUMTJJZ-UGLPJBDBSA-N. The full InChI is InChI=1S/3C24H21N5O/c3*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/h3*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-[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;4-[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 1186.40 g/mol, XLogP of 13.17, 9 rotatable bonds, 3 hydrogen bond donors, and 15 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;4-[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 162034650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).