4-[2-[3,7-bis(1H-indazol-6-yl)phenothiazin-10-yl]ethyl]morpholine

C32H28N6OS — CID 171073413

IUPAC4-[2-[3,7-bis(1H-indazol-6-yl)phenothiazin-10-yl]ethyl]morpholine
SMILESc1cc2c(cc1-c1ccc3cn[nH]c3c1)Sc1cc(-c3ccc4cn[nH]c4c3)ccc1N2CCN1CCOCC1
InChIInChI=1S/C32H28N6OS/c1-3-25-19-33-35-27(25)15-21(1)23-5-7-29-31(17-23)40-32-18-24(22-2-4-26-20-34-36-28(26)16-22)6-8-30(32)38(29)10-9-37-11-13-39-14-12-37/h1-8,15-20H,9-14H2,(H,33,35)(H,34,36)
InChIKeyWHERCVSEKPPHKN-UHFFFAOYSA-N
MW544.68 g/mol
LogP6.71
Rot. Bonds5

About 4-[2-[3,7-bis(1H-indazol-6-yl)phenothiazin-10-yl]ethyl]morpholine

4-[2-[3,7-bis(1H-indazol-6-yl)phenothiazin-10-yl]ethyl]morpholine (PubChem CID 171073413) has the molecular formula C32H28N6OS and a molecular weight of 544.68 g/mol. Its IUPAC name is 4-[2-[3,7-bis(1H-indazol-6-yl)phenothiazin-10-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3,7-bis(1H-indazol-6-yl)phenothiazin-10-yl]ethyl]morpholine
PubChem CID171073413
Molecular FormulaC32H28N6OS
Molecular Weight544.68 g/mol
Exact Mass544.20
IUPAC Name4-[2-[3,7-bis(1H-indazol-6-yl)phenothiazin-10-yl]ethyl]morpholine
SMILESc1cc2c(cc1-c1ccc3cn[nH]c3c1)Sc1cc(-c3ccc4cn[nH]c4c3)ccc1N2CCN1CCOCC1
InChIInChI=1S/C32H28N6OS/c1-3-25-19-33-35-27(25)15-21(1)23-5-7-29-31(17-23)40-32-18-24(22-2-4-26-20-34-36-28(26)16-22)6-8-30(32)38(29)10-9-37-11-13-39-14-12-37/h1-8,15-20H,9-14H2,(H,33,35)(H,34,36)
InChIKeyWHERCVSEKPPHKN-UHFFFAOYSA-N
XLogP6.71
TPSA73.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.68
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[3,7-bis(3-methyl-1H-indol-5-yl)phenothiazin-10-yl]ethyl]morpholine
CID 171073806
3,7-bis(1H-indazol-5-yl)-10-(3-morpholin-4-ylpropyl)pyrido[3,2-b][1,4]benzoxazine
CID 171073415
10-[2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethyl]-3,7-bis(1H-pyrazolo[3,4-b]pyridin-5-yl)phenothiazine
CID 171073449
4-[3-(1H-indazol-5-yl)propyl]morpholine
CID 170870011
N-[7-(3H-benzotriazole-5-carbonylamino)-10-(2-morpholin-4-ylethyl)phenothiazin-3-yl]-3H-benzotriazole-5-carboxamide
CID 171073488
4-[[1-(1H-indazol-6-ylmethyl)pyrrolidin-3-yl]methyl]morpholine
CID 126772127
1-[3,7-bis(1H-indazol-5-yl)pyrido[3,2-b][1,4]benzoxazin-10-yl]-3-morpholin-4-ylpropan-2-ol
CID 171073737
6-(1H-indazol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-8-amine
CID 172717006
(4S)-4-(1H-indazol-6-ylmethylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 124612429
3-bromo-7-(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine
CID 171073514
4-[[6-(1H-indazol-5-yl)-4H-pyran-2-yl]methyl]morpholine
CID 174558278
2,8-bis(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine
CID 171073548

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3,7-bis(1H-indazol-6-yl)phenothiazin-10-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[3,7-bis(1H-indazol-6-yl)phenothiazin-10-yl]ethyl]morpholine (CID 171073413) is 4-[2-[3,7-bis(1H-indazol-6-yl)phenothiazin-10-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3,7-bis(1H-indazol-6-yl)phenothiazin-10-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3,7-bis(1H-indazol-6-yl)phenothiazin-10-yl]ethyl]morpholine is c1cc2c(cc1-c1ccc3cn[nH]c3c1)Sc1cc(-c3ccc4cn[nH]c4c3)ccc1N2CCN1CCOCC1.
What is the InChIKey of 4-[2-[3,7-bis(1H-indazol-6-yl)phenothiazin-10-yl]ethyl]morpholine?
The InChIKey is WHERCVSEKPPHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N6OS/c1-3-25-19-33-35-27(25)15-21(1)23-5-7-29-31(17-23)40-32-18-24(22-2-4-26-20-34-36-28(26)16-22)6-8-30(32)38(29)10-9-37-11-13-39-14-12-37/h1-8,15-20H,9-14H2,(H,33,35)(H,34,36).
What are the key properties of 4-[2-[3,7-bis(1H-indazol-6-yl)phenothiazin-10-yl]ethyl]morpholine?
4-[2-[3,7-bis(1H-indazol-6-yl)phenothiazin-10-yl]ethyl]morpholine has a molecular weight of 544.68 g/mol, XLogP of 6.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3,7-bis(1H-indazol-6-yl)phenothiazin-10-yl]ethyl]morpholine is sourced from PubChem (CID 171073413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).