2-[(4-cyclopropylpiperazin-1-yl)methyl]-4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]morpholine

C24H29FN4OS — CID 68751968

IUPAC2-[(4-cyclopropylpiperazin-1-yl)methyl]-4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]morpholine
SMILESFc1cc(-c2cc(N3CCOC(CN4CCN(C5CC5)CC4)C3)cs2)c2cc[nH]c2c1
InChIInChI=1S/C24H29FN4OS/c25-17-11-22(21-3-4-26-23(21)12-17)24-13-19(16-31-24)29-9-10-30-20(15-29)14-27-5-7-28(8-6-27)18-1-2-18/h3-4,11-13,16,18,20,26H,1-2,5-10,14-15H2
InChIKeyXMPCUUBIKXKFCU-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.02
Rot. Bonds5

About 2-[(4-cyclopropylpiperazin-1-yl)methyl]-4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]morpholine

2-[(4-cyclopropylpiperazin-1-yl)methyl]-4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]morpholine (PubChem CID 68751968) has the molecular formula C24H29FN4OS and a molecular weight of 440.59 g/mol. Its IUPAC name is 2-[(4-cyclopropylpiperazin-1-yl)methyl]-4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]morpholine.

Molecular Properties

Compound Name2-[(4-cyclopropylpiperazin-1-yl)methyl]-4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]morpholine
PubChem CID68751968
Molecular FormulaC24H29FN4OS
Molecular Weight440.59 g/mol
Exact Mass440.20
IUPAC Name2-[(4-cyclopropylpiperazin-1-yl)methyl]-4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]morpholine
SMILESFc1cc(-c2cc(N3CCOC(CN4CCN(C5CC5)CC4)C3)cs2)c2cc[nH]c2c1
InChIInChI=1S/C24H29FN4OS/c25-17-11-22(21-3-4-26-23(21)12-17)24-13-19(16-31-24)29-9-10-30-20(15-29)14-27-5-7-28(8-6-27)18-1-2-18/h3-4,11-13,16,18,20,26H,1-2,5-10,14-15H2
InChIKeyXMPCUUBIKXKFCU-UHFFFAOYSA-N
XLogP4.02
TPSA34.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

PI-3065
CID 24937012
3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3d
CID 5329364
(2-Methyl-1H-indol-5-yl)-[2-(4-morpholin-4-ylmethyl-phenyl)-thieno[3,2-b]pyridin-7-yl]-amine
CID 10434122
(1H-Indol-5-yl)-[2-(4-morpholin-4-ylmethyl-phenyl)-thieno[3,2-b]pyridin-7-yl]-amine
CID 18382861
5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-2-ylphenyl)piperazin-1-yl]propyl]-1H-indole
CID 155526720
5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-ylphenyl)piperazin-1-yl]propyl]-1H-indole
CID 155534839
5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-ylphenyl)piperidin-1-yl]propyl]-1H-indole
CID 155549761
N-(3-(3-morpholinopropyl)-1H-indol-5-yl)thiophene-2-carboximidamide
CID 15951191
4-[2-[3-(3-fluorophenyl)sulfonyl-1H-indol-4-yl]ethyl]morpholine
CID 24860597
6-(cis-3,5-Dimethyl-piperazin-1-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine
CID 24936355
4-[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24937265
4-[2-(6-fluoro-1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24937383

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]morpholine?
The IUPAC name of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]morpholine (CID 68751968) is 2-[(4-cyclopropylpiperazin-1-yl)methyl]-4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]morpholine.
What is the SMILES notation for 2-[(4-cyclopropylpiperazin-1-yl)methyl]-4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]morpholine?
The canonical SMILES for 2-[(4-cyclopropylpiperazin-1-yl)methyl]-4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]morpholine is Fc1cc(-c2cc(N3CCOC(CN4CCN(C5CC5)CC4)C3)cs2)c2cc[nH]c2c1.
What is the InChIKey of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]morpholine?
The InChIKey is XMPCUUBIKXKFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4OS/c25-17-11-22(21-3-4-26-23(21)12-17)24-13-19(16-31-24)29-9-10-30-20(15-29)14-27-5-7-28(8-6-27)18-1-2-18/h3-4,11-13,16,18,20,26H,1-2,5-10,14-15H2.
What are the key properties of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]morpholine?
2-[(4-cyclopropylpiperazin-1-yl)methyl]-4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]morpholine has a molecular weight of 440.59 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropylpiperazin-1-yl)methyl]-4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]morpholine is sourced from PubChem (CID 68751968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).