[1-methyl-4-[5-(1-methylindazol-6-yl)-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-10-yl]pyrrol-2-yl]-morpholin-4-ylmethanone

C26H24N6O2S — CID 165154330

IUPAC[1-methyl-4-[5-(1-methylindazol-6-yl)-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-10-yl]pyrrol-2-yl]-morpholin-4-ylmethanone
SMILESCn1cc(-c2cc3c(s2)Cc2c(-c4ccc5cnn(C)c5c4)n[nH]c2-3)cc1C(=O)N1CCOCC1
InChIInChI=1S/C26H24N6O2S/c1-30-14-17(10-21(30)26(33)32-5-7-34-8-6-32)22-11-18-23(35-22)12-19-24(28-29-25(18)19)15-3-4-16-13-27-31(2)20(16)9-15/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,28,29)
InChIKeyVQWHGULDNQXRFW-UHFFFAOYSA-N
MW484.59 g/mol
LogP4.07
Rot. Bonds3

About [1-methyl-4-[5-(1-methylindazol-6-yl)-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-10-yl]pyrrol-2-yl]-morpholin-4-ylmethanone

[1-methyl-4-[5-(1-methylindazol-6-yl)-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-10-yl]pyrrol-2-yl]-morpholin-4-ylmethanone (PubChem CID 165154330) has the molecular formula C26H24N6O2S and a molecular weight of 484.59 g/mol. Its IUPAC name is [1-methyl-4-[5-(1-methylindazol-6-yl)-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-10-yl]pyrrol-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-methyl-4-[5-(1-methylindazol-6-yl)-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-10-yl]pyrrol-2-yl]-morpholin-4-ylmethanone
PubChem CID165154330
Molecular FormulaC26H24N6O2S
Molecular Weight484.59 g/mol
Exact Mass484.17
IUPAC Name[1-methyl-4-[5-(1-methylindazol-6-yl)-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-10-yl]pyrrol-2-yl]-morpholin-4-ylmethanone
SMILESCn1cc(-c2cc3c(s2)Cc2c(-c4ccc5cnn(C)c5c4)n[nH]c2-3)cc1C(=O)N1CCOCC1
InChIInChI=1S/C26H24N6O2S/c1-30-14-17(10-21(30)26(33)32-5-7-34-8-6-32)22-11-18-23(35-22)12-19-24(28-29-25(18)19)15-3-4-16-13-27-31(2)20(16)9-15/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,28,29)
InChIKeyVQWHGULDNQXRFW-UHFFFAOYSA-N
XLogP4.07
TPSA80.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.59
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-methyl-4-[5-(1-methylindazol-6-yl)-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-10-yl]pyrrol-2-yl]-morpholin-4-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[[4-[5-(1-methylindazol-6-yl)-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-10-yl]phenyl]methyl]piperidin-2-one
CID 163296711
5-(1-methylindazol-6-yl)-10-[4-(pyrrol-1-ylmethyl)phenyl]-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene
CID 163362465
6-[[4-[5-(1-methylindazol-6-yl)-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-10-yl]phenyl]methyl]-2-oxa-6-azaspiro[3.3]heptane
CID 163296713
[2-[5-(1,3-dimethyl-2,3-dihydroindazol-6-yl)-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-10-yl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 156644782
5-[5-[4-(4-methylpiperazin-1-yl)phenyl]-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-10-yl]pyridin-2-amine
CID 71815379
1-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]butan-1-one
CID 159215910
5-(1-methylindazol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117359203
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone
CID 86273883
[3-chloro-4-(1-methylindazol-6-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 118621871
[1-[(4-methylphenyl)methyl]indazol-6-yl]-morpholin-4-ylmethanone
CID 53012811
morpholin-4-yl-[4-(2H-tetrazol-5-yl)phenyl]methanone
CID 32686320
[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone
CID 118621456

Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-[5-(1-methylindazol-6-yl)-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-10-yl]pyrrol-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-methyl-4-[5-(1-methylindazol-6-yl)-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-10-yl]pyrrol-2-yl]-morpholin-4-ylmethanone (CID 165154330) is [1-methyl-4-[5-(1-methylindazol-6-yl)-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-10-yl]pyrrol-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-methyl-4-[5-(1-methylindazol-6-yl)-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-10-yl]pyrrol-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-methyl-4-[5-(1-methylindazol-6-yl)-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-10-yl]pyrrol-2-yl]-morpholin-4-ylmethanone is Cn1cc(-c2cc3c(s2)Cc2c(-c4ccc5cnn(C)c5c4)n[nH]c2-3)cc1C(=O)N1CCOCC1.
What is the InChIKey of [1-methyl-4-[5-(1-methylindazol-6-yl)-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-10-yl]pyrrol-2-yl]-morpholin-4-ylmethanone?
The InChIKey is VQWHGULDNQXRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2S/c1-30-14-17(10-21(30)26(33)32-5-7-34-8-6-32)22-11-18-23(35-22)12-19-24(28-29-25(18)19)15-3-4-16-13-27-31(2)20(16)9-15/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,28,29).
What are the key properties of [1-methyl-4-[5-(1-methylindazol-6-yl)-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-10-yl]pyrrol-2-yl]-morpholin-4-ylmethanone?
[1-methyl-4-[5-(1-methylindazol-6-yl)-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-10-yl]pyrrol-2-yl]-morpholin-4-ylmethanone has a molecular weight of 484.59 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-[5-(1-methylindazol-6-yl)-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-10-yl]pyrrol-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 165154330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).