ethane;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine

C47H46N12 — CID 142321805

IUPACethane;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine
SMILESCC.Cc1cccc(-c2nc3ccccn3c2-c2ccnc(-c3cnn(C)c3)c2)n1.Cc1cccc(-c2nc3n(c2-c2ccnc(-c4cnn(C)c4)c2)C2CCC3C2)n1
InChIInChI=1S/C23H22N6.C22H18N6.C2H6/c1-14-4-3-5-19(26-14)21-22(29-18-7-6-16(10-18)23(29)27-21)15-8-9-24-20(11-15)17-12-25-28(2)13-17;1-15-6-5-7-18(25-15)21-22(28-11-4-3-8-20(28)26-21)16-9-10-23-19(12-16)17-13-24-27(2)14-17;1-2/h3-5,8-9,11-13,16,18H,6-7,10H2,1-2H3;3-14H,1-2H3;1-2H3
InChIKeyVIJRVCDNFNMWDS-UHFFFAOYSA-N
MW778.97 g/mol
LogP9.73
Rot. Bonds6

About ethane;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine

ethane;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine (PubChem CID 142321805) has the molecular formula C47H46N12 and a molecular weight of 778.97 g/mol. Its IUPAC name is ethane;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Nameethane;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine
PubChem CID142321805
Molecular FormulaC47H46N12
Molecular Weight778.97 g/mol
Exact Mass778.40
IUPAC Nameethane;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine
SMILESCC.Cc1cccc(-c2nc3ccccn3c2-c2ccnc(-c3cnn(C)c3)c2)n1.Cc1cccc(-c2nc3n(c2-c2ccnc(-c4cnn(C)c4)c2)C2CCC3C2)n1
InChIInChI=1S/C23H22N6.C22H18N6.C2H6/c1-14-4-3-5-19(26-14)21-22(29-18-7-6-16(10-18)23(29)27-21)15-8-9-24-20(11-15)17-12-25-28(2)13-17;1-15-6-5-7-18(25-15)21-22(28-11-4-3-8-20(28)26-21)16-9-10-23-19(12-16)17-13-24-27(2)14-17;1-2/h3-5,8-9,11-13,16,18H,6-7,10H2,1-2H3;3-14H,1-2H3;1-2H3
InChIKeyVIJRVCDNFNMWDS-UHFFFAOYSA-N
XLogP9.73
TPSA122.32 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500778.97
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze ethane;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine with MolForge

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Related Compounds

(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
4-[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]aniline
CID 57438927
(2S)-3-[[4-[(1R,7S)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]amino]propane-1,2-diol
CID 134439613
2-[7-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoxalin-2-yl]oxyethanol
CID 134439804
3-bromo-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;bis(4-(6-methyl-2-pyridinyl)-3-quinoxalin-6-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline
CID 157306403
7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine
CID 167366868
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
ethane;(5R)-2-(5-fluoro-2-pyridinyl)-5-methyl-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 142321835
4-chloro-6-(1-methylpyrazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidine
CID 106715293
(2S)-1-[[4-[(1R)-4-(6-methyl-2-pyridinyl)-3,6-diazatricyclo[6.2.1.02,6]undeca-2,4-dien-5-yl]-2-pyridinyl]amino]propan-2-ol
CID 146389765
4-[[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]butanamide
CID 69327635
6-[2-cyclohexyl-3-ethyl-5-(6-methyl-2-pyridinyl)imidazol-4-yl]quinoxaline
CID 143498497

Frequently Asked Questions

What is the IUPAC name of ethane;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine?
The IUPAC name of ethane;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine (CID 142321805) is ethane;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for ethane;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine?
The canonical SMILES for ethane;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine is CC.Cc1cccc(-c2nc3ccccn3c2-c2ccnc(-c3cnn(C)c3)c2)n1.Cc1cccc(-c2nc3n(c2-c2ccnc(-c4cnn(C)c4)c2)C2CCC3C2)n1.
What is the InChIKey of ethane;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine?
The InChIKey is VIJRVCDNFNMWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6.C22H18N6.C2H6/c1-14-4-3-5-19(26-14)21-22(29-18-7-6-16(10-18)23(29)27-21)15-8-9-24-20(11-15)17-12-25-28(2)13-17;1-15-6-5-7-18(25-15)21-22(28-11-4-3-8-20(28)26-21)16-9-10-23-19(12-16)17-13-24-27(2)14-17;1-2/h3-5,8-9,11-13,16,18H,6-7,10H2,1-2H3;3-14H,1-2H3;1-2H3.
What are the key properties of ethane;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine?
ethane;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine has a molecular weight of 778.97 g/mol, XLogP of 9.73, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 142321805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).