[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

C27H26N6O2S — CID 156644782

IUPAC[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
SMILESCC1NN(C)c2cc(-c3n[nH]c4c3Cc3sc(-c5cc(C(=O)N6CCOCC6)ccn5)cc3-4)ccc21
InChIInChI=1S/C27H26N6O2S/c1-15-18-4-3-16(12-22(18)32(2)31-15)25-20-14-23-19(26(20)30-29-25)13-24(36-23)21-11-17(5-6-28-21)27(34)33-7-9-35-10-8-33/h3-6,11-13,15,31H,7-10,14H2,1-2H3,(H,29,30)
InChIKeyPMRAVEZLSDZRDZ-UHFFFAOYSA-N
MW498.61 g/mol
LogP4.26
Rot. Bonds3

About [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

[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 (PubChem CID 156644782) has the molecular formula C27H26N6O2S and a molecular weight of 498.61 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID156644782
Molecular FormulaC27H26N6O2S
Molecular Weight498.61 g/mol
Exact Mass498.18
IUPAC Name[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
SMILESCC1NN(C)c2cc(-c3n[nH]c4c3Cc3sc(-c5cc(C(=O)N6CCOCC6)ccn5)cc3-4)ccc21
InChIInChI=1S/C27H26N6O2S/c1-15-18-4-3-16(12-22(18)32(2)31-15)25-20-14-23-19(26(20)30-29-25)13-24(36-23)21-11-17(5-6-28-21)27(34)33-7-9-35-10-8-33/h3-6,11-13,15,31H,7-10,14H2,1-2H3,(H,29,30)
InChIKeyPMRAVEZLSDZRDZ-UHFFFAOYSA-N
XLogP4.26
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [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 with MolForge

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Launch Full Analysis

Related Compounds

[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
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
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
[2-(5-methyl-3-pyridinyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 74233897
[2-(3-chloro-4-fluorophenyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 71187412
[3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]-morpholin-4-ylmethanone
CID 56993724
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
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
[3-[3-(2-ethylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 59836037
[3-[3-(2,3-dihydro-1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 70840387
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
morpholin-4-yl-[3-(2H-tetrazol-5-yl)phenyl]methanone
CID 60667374

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC1NN(C)c2cc(-c3n[nH]c4c3Cc3sc(-c5cc(C(=O)N6CCOCC6)ccn5)cc3-4)ccc21.
What is the InChIKey of [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?
The InChIKey is PMRAVEZLSDZRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2S/c1-15-18-4-3-16(12-22(18)32(2)31-15)25-20-14-23-19(26(20)30-29-25)13-24(36-23)21-11-17(5-6-28-21)27(34)33-7-9-35-10-8-33/h3-6,11-13,15,31H,7-10,14H2,1-2H3,(H,29,30).
What are the key properties of [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?
[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 has a molecular weight of 498.61 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 156644782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).